02068nas a2200157   4500008004100000022001400041245011400055210006900169260007100238300001400309490000700323520140700330100001201737700002901749856013201778       2005                        eng d  a0888-588500aAnalysis of a gas-liquid-liquid-solid catalytic reaction: kinetics and modeling of a semibatch slurry reactor0 aAnalysis of a gasliquidliquidsolid catalytic reaction kinetics a  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC  a9586-95930 v443 a<p>Hydrogenation of aniline to cyclohexylamine was studied in a gas-liquid-liquid-solid tetraphase system using cyclohexane and water as two immiscible liquid phases and ruthenium on alumina (2% Ru/Al2O3) as the catalyst. In addition to the higher catalytic activity with respect to the conventional three-phase system, the novel four-phase system was highly efficient in catalyst-product separation. Experimental data on concentration-time as well as hydrogen-consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and the partial pressure of hydrogen. A detailed analysis of gas-liquid, liquid-liquid, liquid-solid, and intraparticle mass transfer was carried out using initial rate data to ensure the kinetic regime. On the basis of these data, several rate equations were evaluated to select a kinetic model. The kinetic parameters were estimated over a temperature range of 378-418 K by fitting the integral batch reactor data. A rate model considering adsorption of hydrogen on the catalyst surface followed by reaction with the liquid-phase components as the rate-limiting step was found to give the best fitting of the experimental concentration-time as well as the hydrogen-consumption-time data at different initial sets of reaction conditions. The activation energies, heat of adsorption, and entropy of adsorption were also evaluated.</p>1 aRoy, D.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/analysis-gas-liquid-liquid-solid-catalytic-reaction-kinetics-and-modeling-semibatch-slurry-001506nas a2200217   4500008004100000022001400041245008100055210006900136260007500205300001200280490000600292520074500298653001801043653001401061653002101075653001601096653001401112100001901126700002901145856011401174       2005                        eng d  a1571-101300aCarbonylation of alkynes, alkenes and alcohols using metal complex catalysts0 aCarbonylation of alkynes alkenes and alcohols using metal comple  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGER/PLENUM PUBLISHERScSEP  a193-2050 v93 a<p>Carbonylation of olefins, alcohols and halides using homogeneous as well as heterogeneous catalysts has been discussed. Highlights of contributions on the activity, selectivity and stability of catalysts for carbonylation reactions are discussed. Kinetics and mechanism including characterization of the intermediate catalytic species has also been reviewed. The performance of anchored Pd complexes on mesoporous supports (MCM-41 and MCM-48), water soluble Pd complexes and supported Pd catalysts in carbonylation of aryl alcohols and olefins has been discussed in the context of catalyst-product separation. Some aspects of kinetic modelling and reaction engineering of these multiphase catalytic reactions have also been reviewed.</p>10aCarbonylation10acatalysis10aHeterogenization10ahomogeneous10aPalladium1 aSarkar, B., R.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/carbonylation-alkynes-alkenes-and-alcohols-using-metal-complex-catalysts-002093nas a2200229   4500008004100000022001400041245007300055210006900128260006800197300001200265490000700277520133900284653000801623653000901631653001801640653001501658653002401673100001901697700001901716700002901735856009901764       2005                        eng d  a0001-154100aComputational study of a single-phase flow in packed beds of spheres0 aComputational study of a singlephase flow in packed beds of sphe  a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcFEB  a365-3780 v513 a<p>Packed-bed reactors are widely used in petrochemical, fine chemical, and pharmaceutical industries. Detailed knowledge of interstitial flow in the void space of such packed-bed reactors is essential for understanding the heat and mass transfer characteristics. In this paper, fluid flow through the array of spheres was studied using the unit-cell approach, in which different periodically repeating arrangements of particles such as simple cubical, 1-D rhombohedral, 3-D rhombohedral, and face-centered cubical geometries were considered. Single-phase flow through these geometries was simulated using computational fluid dynamics (CFD). The model was first validated by comparing predicted results with published experimental and computational results. The validated model was further used to study the effect of particle arrangement/orientation on velocity distribution and heat transfer characteristics. The simulated results were also used to understand and to quantify, relative contributions of surface drag and form drag in overall resistance to the flow through packed-bed reactors. The model and the results presented here would be useful in elucidating the role of microscopic flow structure on mixing and other transport processes occurring in packed-bed reactors. (C) 2005 American Institute of Chemical Engineers.</p>10aCFD10adrag10aheat transfer10apacked bed10apacking arrangement1 aGunjal, P., R.1 aRanade, V., V.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/computational-study-single-phase-flow-packed-beds-spheres-002164nas a2200241   4500008004100000022001400041245007800055210006900133260006800202300001000270490000700280520138400287653000801671653001601679653001401695653001401709653001601723653000801739100001901747700001901766700002901785856010801814       2005                        eng d  a0001-154100aDynamics of drop impact on solid surface: experiments and VOF simulations0 aDynamics of drop impact on solid surface experiments and VOF sim  a111 RIVER ST, HOBOKEN, NJ 07030 USAbJOHN WILEY & SONS INCcJAN  a59-780 v513 a<p>The process of spreading/recoiling of a liquid drop after collision with a flat solid surface was experimentally, and computationally studied to identify the key issues in spreading of a liquid drop oil a solid surface. The long-term objective of this study is to gain an insight in the phenomenon of wetting of solid particles in the trickle-bed reactors. Interaction of a falling liquid drop with a solid surface (impact, spreading, recoiling, and bouncing) was studied using a high-speed digital camera. Experimental data oil dynamics of a drop impact on flat surfaces (glass and Teflon) are reported over a range of Reynolds numbers (550-2500) and Weber numbers (2-20). A computational fluid dynamics (CFD) model, based on the volume of fluid (VOF) approach, was used to simulate drop dynamics on the flat sufaces. The experimental results were compared with the CFD simulations. Simulations showed reasonably good agreement with the experimental data. A VOF-based computational model was able to capture key features of the interaction of a liquid drop with solid surfaces. The CFD simulations provide information about finer details of drop interaction with the solid surface. Information about gas-liquid and liquid-solid drag obtained from VOF simulations would be useful for CFD modeling of trickle-bed reactors. (C) 2004 American Institute of Chemical Engineers.</p>10aCFD10adrop impact10arecoiling10aspreading10atrickle bed10aVOF1 aGunjal, P., R.1 aRanade, V., V.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/dynamics-drop-impact-solid-surface-experiments-and-vof-simulations-001583nas a2200181   4500008004100000022001400041245007200055210006900127260007100196300001400267490000700281520092200288100001901210700001901229700001901248700002901267856010501296       2005                        eng d  a0888-588500aHydrodynamics of trickle-bed reactors: experiments and CFD modeling0 aHydrodynamics of tricklebed reactors experiments and CFD modelin  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAUG  a6278-62940 v443 a<p>{Hydrodynamics of trickle-bed reactors involve complex interactions of gas and liquid phases with packed solids. Such complex interactions manifest in different flow regimes occurring in trickle-bed reactors. Knowledge of prevailing flow regime, pressure drop, and liquid holdup is essential for design and performance evaluation of the reactor. Detailed knowledge of fluid dynamics is essential for ``a priory'' predictions as well as for interpretation of available data. In this study, we have used wall pressure fluctuation measurements to identify prevailing flow regime in trickle beds. Experiments were carried out on two scales of columns (of diameter 10 cm and 20 cm) with two sets of particles (3 min and 6 mm diameter spherical particles). Effects of prewetted and unwetted bed conditions on pressure drop and liquid holdup were reported for a range of operating conditions (V-G = 0.22-0.44 kg/m(2)s</p>1 aGunjal, P., R.1 aKashid, M., N.1 aRanade, V., V.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/hydrodynamics-trickle-bed-reactors-experiments-and-cfd-modeling-101631nas a2200229   4500008004100000022001400041245010700055210006900162260007300231300001200304490000800316520077600324653002701100653002101127653002301148653001301171653001201184100002601196700002201222700002901244856012801273       2005                        eng d  a1381-116900aHydroformylation of 1-hexene using Rh/TPPTS complex exchanged on anion exchange resin: kinetic studies0 aHydroformylation of 1hexene using RhTPPTS complex exchanged on a  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAY  a179-1860 v2323 a<p>The exchange of the Rh/Triphenylphosphine trisulfonate sodium [TPPTS] complex on to an anion exchange resin results in a stable heterogenized catalyst for the hydroformylation of alkenes. The kinetics of hydroformylation of 1-hexene using Rh/TPPTS complex exchanged on anion exchange resin to Amberlite IRA-93 has been investigated for the first time. The rate of the reaction was found to be dependent on the partial pressure of hydrogen and 1-hexene concentrations with a first order. A maximum in the rate with increasing partial pressure of carbon monoxide was observed. A rate model has been proposed which predicts the observed rate data within reasonable error. The activation energy was found to be 84.37 kJ/mol. (c) 2005 Elsevier B.V. All rights reserved.</p>10aheterogenized catalyst10aHydroformylation10aion-exchange resin10akinetics10aRhodium1 aDiwakar, Makarand, M.1 aDeshpande, R., M.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/hydroformylation-1-hexene-using-rhtppts-complex-exchanged-anion-exchange-resin-kinetic-101756nas a2200253   4500008004100000022001400041245011100055210006900166260006900235300001400304490000800318520082900326653002301155653002001178653002701198653002301225653002301248653000701271100001801278700002501296700002501321700002901346856012701375       2005                        eng d  a0022-328X00aIsolation and characterization of an iodide bridged dimeric palladium complex in carbonylation of methanol0 aIsolation and characterization of an iodide bridged dimeric pall  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR  a1677-16810 v6903 a<p>Palladium-catalyzed carbonylation of methanol in presence of iodide promoters was investigated. Iodide bridged palladium dimeric complex, [PPh3CH3](2)[Pd2I6] was isolated from the carbonylation reaction mixture and characterized using X-ray crystallography. Reaction mechanism was proposed based on IR and UV spectroscopic characterizations of catalytic species involved in the catalytic cycle. The isolated dimeric palladium species, [Pd2I6](2-) underwent carbonylation to give monomeric species [PdI3CO](-) at atmospheric pressure of carbon monoxide. It was also observed that PPh3 plays an important role to avoid catalyst deactivation at higher temperatures. Turnover frequency (TOF) of 1052 h(-1) was achieved using Pd(OAC)(2)-HI-PPh3 catalyst system at 175 degrees C. (c) 2005 Elsevier B.V. All rights reserved.</p>10adirneric palladium10aIR spectroscopy10amethanol carbonylation10apalladium catalyst10areaction mechanism10aUV1 aTonde, S., S.1 aKelkar, Ashutosh, A.1 aBhadbhade, Mohan, M.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/isolation-and-characterization-iodide-bridged-dimeric-palladium-complex-carbonylation-101985nas a2200169   4500008004100000022001400041245011900055210006900174260007100243300001400314490000700328520128100335100001201616700002701628700002901655856013101684       2005                        eng d  a0888-588500aKinetic modeling of reductive alkylation of aniline with acetone using Pd/Al2O3 catalyst in a batch slurry reactor0 aKinetic modeling of reductive alkylation of aniline with acetone  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcJUL  a5388-53960 v443 a<p>The kinetics of reductive alkylation of aniline with acetone was studied in a slurry reactor under isothermal conditions in a temperature range of 378-408 K using 3% Pd/Al2O3 catalyst. Experimental data on concentration-time as well as hydrogen consumption-time profiles were obtained to study the effect of concentration of aniline, catalyst loading, and partial pressure of hydrogen. Separate controlled experiments were performed to understand the nature of the condensation reaction between aniline and acetone, which forms the Shiff's base intermediate. From the concentration-time profiles and the effect of reaction conditions, it was found that the noncatalytic equilibrium formation of the Shiff base intermediate was the slowest step in the multistep reaction sequence. Several rate equations were considered to fit the batch slurry reactor data, and rate models based on competitive dissociative adsorption of hydrogen and the reactive substrates in the rate-limiting catalytic steps were found to represent the experimental data. The kinetic parameters were evaluated by fitting the integral batch reactor data at different temperatures. The activation energies, heat of adsorption, and entropy of adsorption of all the reactant species were also evaluated.</p>1 aRoy, D.1 aJaganathan, Rengaswamy1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetic-modeling-reductive-alkylation-aniline-acetone-using-pdal2o3-catalyst-batch-slurry-002231nas a2200157   4500008004100000022001400041245009100055210006900146260010100215300001400316490000700330520157400337100002301911700002901934856011001963       2005                        eng d  a0888-588500aNew route for the synthesis of propylene glycols via hydroformylation of vinyl acetate0 aNew route for the synthesis of propylene glycols via hydroformyl  aPortoroz-Portorose, SloveniabAmer Chemical Soc, 1155 16th ST, NW, Washington, DC 20036 USAcDEC  a9601-96080 v443 a<p>Hydroformylation of vinyl acetate (VAM) has been studied as a key step in the alternative route for the synthesis of 1,2-propanediol (1,2-PDO) and 1,3-propanedol (1,3-PDO) using homogeneous rhodium (Rh) and cobalt (Co) complex catalysts. The feasibility of the VAM hydroformylation route has been demonstrated, and a detailed study has been reported on the key hydroformylation step using homogeneous Rh and Co catalysts. The roles of the catalyst precursors, ligands, and solvents in the activity and regioselectivity of the aldehyde products, i.e., 2-acetoxy propanal (2-ACPAL) and 3-acetoxy propanal (3-ACPAL), and the effect of reaction conditions have been investigated. With Rh-phosphine catalysts, 2-ACPAL is obtained with a selectivity of &gt; 90%, while with cobalt carbonyl catalyst, 2-ACPAL and 3-ACPAL are formed with comparable selectivities (similar to 50% each) thus substantially improving the selectivity of the linear aldehyde, a precursor for 1,3-PDO. In halogenated solvents with cobalt carbonyl catalyst, the selectivity to 3-ACPAL was found to increase still further (58%). A possible mechanism to explain the variation in regioselectivity for the Rh anal Co catalysts has been discussed. In the presence of pyridine as a ligand in the Co-catalyzed hydroformylation of VAM, the rate of reaction was found to be enhanced 4-fold. The hydrogenation of acetoxypropanal isomers using Raney-Ni catalyst followed by hydrolysis using Amberlite IR-120 resin catalyst gave quantitative conversion to the mixture of 1,2- and 1,3-PDOs (&gt; 90% yield).</p>1 aBorole, Yogesh, L.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/new-route-synthesis-propylene-glycols-hydroformylation-vinyl-acetate-001913nas a2200253   4500008004100000022001400041245013700055210006900192260007300261300001000334490000800344520099500352653001201347653002301359653001601382653000601398653001701404653002301421653001601444100002201460700001801482700002901500856013001529       2005                        eng d  a1381-116900aSelective synthesis of N,N-dimethyl aniline derivatives using dimethyl carbonate as a methylating agent and onium salt as a catalyst0 aSelective synthesis of NNdimethyl aniline derivatives using dime  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB  a49-560 v2263 a<p>N-Alkylation of anilines by dimethyl carbonate (DMC) catalyzed by onium salts has been demonstrated. The work presented here shows that a simple catalytic system consisting of onium salts in the presence of a small amount of water is extremely effective in enhancing the DMC mediated N-alkylation of anilines to dialkylated products. The effect of reaction conditions on the synthesis of N,N-dimethyl aniline (NNDMA) from aniline and DMC has been investigated. Under the optimized conditions highest yield of NNDMA obtained was 99.8%, which is the best reported for liquid phase N-alkylation of aniline using DMC. The role of water in enhancing the yield of NNDMA is explained and a reaction-networking scheme is constructed, which summarizes the chemistry behind liquid phase N-alkylation of anilines by DMC. The catalyst has been shown to recycle up to five times and at the end of fifth recycle almost 98% of NNDMA yields were obtained. (C) 2004 Elsevier B.V. All rights reserved.</p>10aAniline10aDimethyl carbonate10amethylation10aN10aN-alkylation10aN-dimethyl aniline10aonium salts1 aShivarkar, A., B.1 aGupte, S., P.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/selective-synthesis-nn-dimethyl-aniline-derivatives-using-dimethyl-carbonate-methylating-001198nas a2200229   4500008004100000022001400041245008600055210006900141260005700210300001200267490000800279520041000287653001900697653002100716653002100737653001200758653001200770100001800782700002200800700002900822856011700851       2006                        eng d  a1011-372X00aHydroformylation of olefins using dispersed molecular catalysts on solid supports0 aHydroformylation of olefins using dispersed molecular catalysts   a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcAUG  a129-1330 v1103 a<p>A new method for heterogenization of metal complex catalysts by precipitation of its water-soluble analogue as a Gr.2 metals (Ca, Sr or Ba) salt on porous supports has been proposed. This technique yields a highly dispersed catalyst having a significantly higher activity (TOF) for hydroformylation of olefins compared to other known heterogenized catalysts. The catalyst can be recycled with ease.</p>10acarbon support10aHeterogenization10aHydroformylation10aOlefins10aRhodium1 aPagar, N., S.1 aDeshpande, R., M.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/hydroformylation-olefins-using-dispersed-molecular-catalysts-solid-supports-001714nas a2200229   4500008004100000022001400041245013300055210006900188260009500257300001200352490000800364520080700372653001801179653002801197653001901225653001701244653002201261653002001283100002301303700002901326856012901355       2006                        eng d  a0021-951700aOssification: a new approach to immobilize metal complex catalysts - applications to carbonylation and Suzuki coupling reactions0 aOssification a new approach to immobilize metal complex catalyst  a525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USAbACADEMIC PRESS INC ELSEVIER SCIENCEcAUG  a231-2380 v2423 a<p>A simple approach for immobilization of transition metal complexes is reported here based on the transformation of the complex into its intrinsically insoluble counterpart, thus generating solid molecular catalysts. This approach that we call ``ossification'' is based on a principle, in which the water-soluble analogues of the metal complexes are precipitated out from aqueous solutions as insoluble ionic ensembles having catalytically active metal-centered coordination environments and robust framework. The approach has been illustrated for I'd complex catalyzed carbonylation and Suzuki coupling reactions. ``Ossification'' was found to be an economically and environmentally attractive alternative to other exotic immobilization methodologies. (c) 2006 Elsevier Inc. All rights reserved.</p>10aCarbonylation10aHeterogeneous catalysts10aImmobilization10aossification10aPalladium complex10aSuzuki coupling1 aSarkar, Bibhas, R.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/ossification-new-approach-immobilize-metal-complex-catalysts-applications-carbonylation-101087nas a2200217   4500008004100000022001400041245011000055210006900165260007500234300001400309520025700323653001500580653002300595653001000618653001900628653001200647100003000659700002100689700002900710856013000739       2006                        eng d  a0936-521400aSynthesis of beta-amino alcohols from aromatic amines and alkylene carbonates using Na-Y zeolite catalyst0 aSynthesis of betaamino alcohols from aromatic amines and alkylen  aRUDIGERSTR 14, D-70469 STUTTGART, GERMANYbGEORG THIEME VERLAG KGcJUN  a1374-13783 a<p>A simple, efficient, and environmentally benign methodology for the synthesis of beta-amino alcohols from aromatic amines and alkylene carbonates in the presence of the highly active and reusable solid base catalyst Na-Y zeolite is demonstrated.</p>10aAlkylation10aalkylene carbonate10aAmine10aAmino alcohols10azeolite1 aShivarkar, Anandkumar, B.1 aGupte, Sunil, P.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/synthesis-beta-amino-alcohols-aromatic-amines-and-alkylene-carbonates-using-na-y-zeolite-001672nas a2200229   4500008004100000022001400041245013600055210006900191260007300260300001200333490000600345520074600351653003001097653003601127653005001163653001701213653001701230100001901247700001701266700002901283856013001312       2007                        eng d  a1566-736700aBimetallic Pt-Sn/gamma-alumina catalyst for highly selective liquid phase hydrogenation of diethyl succinate to gamma-butyrolactone0 aBimetallic PtSngammaalumina catalyst for highly selective liquid  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcMAR  a340-3440 v83 a<p>Platinum-tin bimetallic catalyst on gamma-alumina support was prepared by impregnation method and was reduced by sodium borohydride at room temperature. XRD and XPS characterization revealed that platinum was reduced to Pt-0 while, tin was probably partially reduced to Sn2+ due to the low temperature reduction method and Sn-0 was completely absent, avoiding the formation of P-Sn alloy. Pt-Sn/gamma-alumina (Pt 1%, Sn 9%) thus prepared was found to give almost complete selectivity to gamma-butyrolactone in liquid phase hydrogenation of diethyl succinate. A plausible reaction pathway is proposed involving Pt-O-Sn state and high selectivity to GBL is due to the Lewis acidity of Sn2+/4+ (c) 2006 Elsevier B.V. All rights reserved.</p>10abimetallic Pt-Sn catalyst10agamma-butyrolactone selectivity10aliquid phase hydrogenation of diethyl maleate10aXPS of Pt-Sn10aXRD of Pt-Sn1 aVaidya, S., H.1 aRode, C., V.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/bimetallic-pt-sngamma-alumina-catalyst-highly-selective-liquid-phase-hydrogenation-diethyl02341nas a2200169   4500008004100000022001400041245007300055210006800128260007100196300001400267490000700281520170300288100002301991700002502014700002902039856010302068       2007                        eng d  a0888-588500aBiphasic hydroformylation of 1,4-diacetoxy-2-butene: a kinetic study0 aBiphasic hydroformylation of 14diacetoxy2butene a kinetic study  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC  a8629-86370 v463 a<p>Hydroformylation of 1,4-diacetoxy-2-butene was studied using a water-soluble Rh complex catalyst prepared in situ from [Rh(COD)Cl](2) complex and trisodium salt of tri-(m-sulfophenyl)phosphine (TPPTS) in a biphasic system. The sequence of addition of catalyst precursor, ligand, and reactant/solvent showed a significant effect on leaching of Rh from aqueous to organic phase, and hence, the procedure was optimized to develop a nonleaching and stable biphasic catalyst system. The only hydroformylation product (1,4-diacetoxy-2-formyl butane, DAFB) formed was found to deacetoxylate completely to 2-formyl-4-acetoxybutene (FAB), thus allowing a one-pot synthesis of FAB, an important intermediate for Vitamin A. Experimental data on the concentration-time and CO/H-2 consumption-time profiles were obtained, and the effects of DAB concentration, CO partial pressure, H-2 partial pressure, and catalyst concentration were studied in a stirred batch reactor over a temperature range of 338-358 K. The effect of aqueous phase holdup on the initial rate of hydroformylation and analysis of gas-liquid and liquid-liquid mass transfer effects were also investigated to identify the reaction rate data operating in a kinetic regime. A rate equation based on the known hydroformylation reaction mechanism was used to fit the experimental rate data and to evaluate kinetic parameters. The agreement between the model prediction and the experimental data was found to be excellent. The activation energy was calculated as 30.1 kJ/mol. The biphasic catalyst system reported here is not only efficient for catalyst-product separation but also provides a tandem synthesis of Vitamin A intermediate, FAB.</p>1 aChansarkar, Rashmi1 aKelkar, Ashutosh, A.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/biphasic-hydroformylation-14-diacetoxy-2-butene-kinetic-study-002501nas a2200193   4500008004100000022001400041245009300055210006900148260007100217300001400288490000700302520174800309100002802057700002102085700002502106700002102131700002902152856012602181       2007                        eng d  a0888-588500aEnvironmentally benign catalytic hydroformylation-oxidation route for naproxen synthesis0 aEnvironmentally benign catalytic hydroformylationoxidation route  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC  a8480-84890 v463 a<p>Hydroformylation of 6-methoxy-2-vinylnaphthalene (MVN), using homogeneous Rh(CO)acac) as a catalyst and a chelating bidentate ligand (1,2-bis-(diphenylphosphino) ethane, dppe), followed by oxidation of the product (2-(6-methoxynaphthyl) propanal, 2-MNP) has been studied as an alternative route for the synthesis Of D,L-naproxen. The feasibility of the MVN hydroformylation route has been demonstrated, and a detailed study has been reported on the key hydroformylation step. The roles of the catalyst, ligands, and solvents, as well as the effect of reaction conditions on the reaction rate and regioselectivity of the product 2-MNP, have been investigated. With Rh(CO)2(acac) as a catalyst and dppe as a ligand, &gt; 98% selectivity to 2-MNP (an important precursor to D,L-naproxen) has been achieved. A possible mechanism to explain the variation in regioselectivity with Rh(CO)(2)(acac) as a catalyst and dppe as a ligand has been discussed. The kinetics of the hydroformylation step has been investigated and a rate equation has been proposed. The second step in the proposed route for naproxen-the oxidation of 2-MNP to 2-(6-methoxynaphthyl) propanoic acid (2-MNPA, or naproxen) - has been studied using Na2WO4 as a catalyst and tetrabutyl ammonium hydrogen sulfate (TBAHS) as the phase-transfer catalyst with H2O2 as the oxidant for the first time. Screening of the catalysts that consisted of the early transition metals, such as salts of tungsten, vanadium, and molybdenum showed that Na2WO4 gives the best performance for the oxidation step with &gt; 80% selectivity to 2-(6-methoxynaphthyl)propanoic acid (2-MNPA/naproxen). This study would be valuable in developing a new environmentally benign route for naproxen synthesis.</p>1 aRajurkar, Kalpendra, B.1 aTonde, Sunil, S.1 aDidgikar, Mahesh, R.1 aJoshi, Sunil, S.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/environmentally-benign-catalytic-hydroformylation-oxidation-route-naproxen-synthesis-001924nas a2200181   4500008004100000022001400041245013100055210006900186260007100255300001400326490000700340520117800347100002401525700001601549700002401565700002901589856012401618       2007                        eng d  a0888-588500aKinetics of reductive alkylation of p-phenylenediamine with methyl ethyl ketone using 3% Pt/Al2O3 catalyst in a slurry reactor0 aKinetics of reductive alkylation of pphenylenediamine with methy  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcMAY  a3243-32540 v463 a<p>Intrinsic kinetics of reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) using 3% Pt/Al2O3 catalyst was studied in a slurry reactor. The overall reaction involves a combination of parallel and consecutive reactions involving equilibrium noncatalytic (homogeneous) and catalytic (heterogeneous) steps. For the purpose of kinetic modeling, the effects of PPDA concentration, catalyst loading, agitation speed, and partial pressure of hydrogen were studied in a temperature range of 373-413 K. Quantitative criteria were used to ensure that the reaction occurred in the kinetic regime. Different rate equations have been considered based on the elementary steps involving catalytic and noncatalytic reactions, which lay stress on the different types of interactions occurring between the reactants and the active catalyst sites. The best-fit rate model has been proposed by rigorous optimization and model discrimination procedures, by simulating the experimental concentration-time data. For the best-fit model, the agreement between the predicted and experimental data was found to be very good over a wide range of operating conditions.</p>1 aPatil, Narendra, G.1 aRoy, Debdut1 aChaudhari, Amit, S.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetics-reductive-alkylation-p-phenylenediamine-methyl-ethyl-ketone-using-3-ptal2o302292nas a2200253   4500008004100000022001400041245009200055210006900147260010600216300001400322490000700336520136000343653001901703653000801722653001301730653002601743653002501769100002401794700002301818700002201841700002701863700002901890856011901919       2007                        eng d  a0009-250900aModeling of bubble column slurry reactor for reductive alkylation of p-phenylenediamine0 aModeling of bubble column slurry reactor for reductive alkylatio  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC  a7290-73040 v623 a<p>A bubble column slurry reactor (BCSR) model has been developed for the reductive alkylation of p-phenylenediamine (PPDA) with methyl ethyl ketone (MEK) to N, N'-di-secondary-alkyl-p-phenylenediamine (Di-amine). This particular reaction system is commercially relevant and involves a combination of parallel and consecutive reactions comprising equilibrium non-catalytic (homogeneous) and catalytic (heterogeneous) steps. The proposed model is based on the `mixing cell approach'. In this work the mixing cell approach has been extended by including a liquid backflow stream from all but the bottommost mixing cell. The model incorporates the contributions of gas-liquid and liquid-solid mass transfer, heat effects, and complex multistep reaction kinetics. CFD model is used to estimate the extent of backflow among mixing cells and its dependence on operating parameters. The effect of gas and liquid velocities, catalyst loading, inlet PPDA concentration, and temperature on the conversion, selectivity, global rate of hydrogenation, and temperature rise is discussed. The comparison of the current approach with the traditional mixing cell model is discussed. The BCSR model presented here will be useful to provide guidelines for designing and improving overall performance of bubble column reactors. (C) 2007 Elsevier Ltd. All rights reserved.</p>10abubble columns10aCFD10akinetics10aMathematical modeling10aReductive alkylation1 aChaudhari, Amit, S.1 aRampure, Mohan, R.1 aRanade, Vivek, V.1 aJaganathan, Rengaswamy1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/modeling-bubble-column-slurry-reactor-reductive-alkylation-p-phenylenediamine-000531nas a2200145   4500008004100000022001400041245005600055210005000111260007100161300000900232490000700241100002900248700002200277856008600299       2007                        eng d  a0888-588500aPreface: CAMURE-6 & ISMR-5 symposium in Pune, India0 aPreface CAMURE6 ISMR5 symposium in Pune India  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcDEC  a82910 v461 aChaudhari, Raghunath, V.1 aRanade, Vivek, V.  uhttps://library.ncl.res.in/content/preface-camure-6-ismr-5-symposium-pune-india-001331nas a2200217   4500008004100000022001400041245008300055210006900138260007300207300001200280490000600292520056600298653001800864653001500882653001400897653001400911100001800925700002900943700002900972856011201001       2007                        eng d  a1566-736700aRate enhancement in palladium catalyzed Heck reactions by Lewis acid promoters0 aRate enhancement in palladium catalyzed Heck reactions by Lewis   aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcFEB  a183-1860 v83 a<p>Significant enhancement in the rate of Heck reactions has been achieved when catalytic amounts of Lewis acid (like FeCl(3)) promoters in the presence of trace amounts of water (&gt; 2000 ppm) are used along with Pd complex catalysts. Experiments with different aryl halides, bases as well as olefins have been carried out to demonstrate the role of Lewis acid promoters. The increase in the reaction rates is due to the weakening of Ar-X bond by the Lewis acid in the manner similar to Friedel-Crafts reaction. (c) 2006 Elsevier B.V. All rights reserved.</p>10aHeck reaction10aLewis acid10aPalladium10aPromoters1 aSud, Abhishek1 aDeshpande, Raj, Madhukar1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/rate-enhancement-palladium-catalyzed-heck-reactions-lewis-acid-promoters00820nas a2200217   4500008004100000022001400041245008900055210006900144260007300213300001400286490000600300520003200306653001800338653002600356653001200382653001300394100002300407700002500430700002900455856011800484       2007                        eng d  a1566-736700aTethered Pd-complex on solid support: catalyst for acid-free carbonylation reactions0 aTethered Pdcomplex on solid support catalyst for acidfree carbon  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcSEP  a1386-13920 v83 a<p>{Palladium complex [</p>10adecomposition10adirect H2O2 synthesis10ahalides10aPromoter1 aSarkar, Bibbas, R.1 aMukhopadhyay, Kausik1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/tethered-pd-complex-solid-support-catalyst-acid-free-carbonylation-reactions-001244nas a2200265   4500008004100000022001400041245007100055210006700126260008600193300001200279490000700291520036600298653000600664653001600670653002000686653001400706653001800720100002500738700002100763700002500784700002000809700002100829700002900850856009900879       2008                        eng d  a0039-791100aHighly efficient sulfimidation of 1,3-dithianes by Cu(I) complexes0 aHighly efficient sulfimidation of 13dithianes by CuI complexes  a325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USAbTAYLOR & FRANCIS INCcFEB  a619-6250 v383 a<p>A series of four Cu(I) complexes were tested for sulfimidation of 1,3-dithianes in the presence of [N-(p-tolysulfonyl)imino]phenyliodinane (PhI = NTs) as the nitrene-transfer agent. Cu(TMPhen)(PPh3)Br is an efficient catalyst with more than 90% yield of the corresponding product with less reaction time as compared to the literature copper(I) complexes.</p>10a110a3-dithianes10aCu(I) complexes10aPhI = NTs10asulfimidation1 aGiribabu, Lingamallu1 aSingh, Surya, P.1 aPatil, Nandkumar, M.1 aKantam, Lakshmi1 aGupte, Sunil, P.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/highly-efficient-sulfimidation-13-dithianes-cui-complexes-002512nas a2200229   4500008004100000022001400041245015100055210006900206260007300275300001400348490000600362520159700368653002101965653003301986653002402019653001102043100002102054700002102075700002602096700002902122856013102151       2008                        eng d  a1566-736700aHighly selective synthesis of mono-ethylene glycol phenyl ethers via hydroxyalkoxylation of phenols by cyclic carbonates using large pore zeolites0 aHighly selective synthesis of monoethylene glycol phenyl ethers   aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR  a1649-16550 v93 a<p>Hydroxyalkoxylation of phenols by cyclic carbonates catalyzed by alkali loaded large pore zeolites has been reported. The study shows that KL type zeolite was recyclable and selective in producing mono-ethylene glycol pheryl ethers in similar to 98.5% yield. Various substituted simple phenols were converted into mono-ethylene glycol ether of phenols with over 90% yields, except 3-bromo and 2-methyl phenols. Mono hydroxyl plienols such as hydroquinone, biphenol and BPA (2,2-bis(4-hydroxyphenyl)propane) also produce corresponding mono- and di-ethylene glycol ethers. The ratio of ethylene carbonate to phenol was found to be critical for selective formation of monoethylene glycol phenyl ether of phenols. A ratio of two results in formation of appreciable amount of diether derivative viz., 2-(2-phenoxyethoxy) ethanol. Compared to ethylene carbonate, a lower reactivity of 1,2-propane carbonate was found for hydroxyalkoxylation of phenol. It was found that ring opening at less hindered methylene carbon of 1,2-propylene carbonate prevailed giving rise to selective formation of beta-hydroxy phenyl ethers. The reactivity of ethylene carbonate towards O-alkylation versus transesterification of phenol has been explained on the basis of HSAB concept. Finally, it has been shown that yield of mono-ethylene glycol phenyl ether is controlled both by basicity and channel architecture of zeolite structure. KL zeolite was found to be the most effective zeolite because of it's intermediate basicity and one dimensional channel architect. (C) 2008 Elsevier B.V. All rights reserved.</p>10acyclic carbonate10aethylene glycol phenyl ether10ahydroxyalkoxylation10aphenol1 aKinage, Anil, K.1 aGupte, Sunil, P.1 aChaturvedi, Rajiv, K.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/highly-selective-synthesis-mono-ethylene-glycol-phenyl-ethers-hydroxyalkoxylation-phenols-001707nas a2200169   4500008004100000022001400041245009700055210006900152260007100221300001400292490000700306520102000313100003001333700002101363700002901384856012401413       2008                        eng d  a0888-588500aTandem synthesis of beta-amino alcohols from aniline, dialkyl carbonate, and ethylene glycol0 aTandem synthesis of betaamino alcohols from aniline dialkyl carb  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcAPR  a2484-24940 v473 a<p>An efficient tandem route for selective synthesis of beta-amino alcohols from anilines, dialkyl carbonate and ethylene glycol in the presence of recyclable Na-Y zeolite has been demonstrated. Transesterification of dialkyl carbonate by ethylene glycol produce ethylene carbonate which further reacts with aniline to give beta-amino alcohols in a single step. This reaction system was studied under high-pressure as well as pot reaction condition. Various process parametric effects were investigated for the reaction of aniline, dialkyl carbonate, and ethylene glycol. It was observed that a maximum 51% yield of mono-beta-amino alcohol, i.e., N-phenylethanolamine (NPEA). is obtained under pressure conditions. The yield of NPEA was improved drastically (&gt;91%) by carrying out the reaction under pot conditions using diethyl carbonate as transesterification agent. Finally activity and selectivity of solid catalyst was explained on the basis of nature of active sites and pore structure of the catalyst.</p>1 aShivarkar, Anandkumar, B.1 aGupte, Sunil, P.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/tandem-synthesis-beta-amino-alcohols-aniline-dialkyl-carbonate-and-ethylene-glycol-001345nas a2200229   4500008004100000022001400041245011700055210006900172260007300241300001200314490000700326520045900333653002500792653002700817653001500844100002500859700002500884700002300909700002200932700002900954856013200983       2008                        eng d  a1350-417700aUltrasound promoted asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system0 aUltrasound promoted asymmetric transfer hydrogenation of ketones  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAPR  a289-2930 v153 a<p>Asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system proceeds with significant rate enhancement by ultrasound promotion. Comparison of the silent reactions carried out at 25 degrees C with reactions under sonochemical activation at 25 degrees C clearly showed enhancement in catalytic activity by 5-10 times without significantly affecting the enantioselectivity. (C) 2007 Elsevier B.V. All rights reserved.</p>10aasymmetric catalysis10atransfer hydrogenation10aUltrasound1 aShingote, Savita, K.1 aKelkar, Ashutosh, A.1 aBorole, Yogesh, L.1 aJoshi, Pradip, D.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/ultrasound-promoted-asymmetric-transfer-hydrogenation-ketones-using-ruiiareneamino-alcohol-002168nas a2200241   4500008004100000022001400041245012000055210006900175260007300244300001200317490000800329520127700337653001801614653002401632653001301656653002201669653001901691653001401710100002101724700002501745700002901770856012701799       2009                        eng d  a1381-116900aHydroesterification of 2-vinyl-6-methoxynaphthalene using palladium complexes containing chelating nitrogen ligands0 aHydroesterification of 2vinyl6methoxynaphthalene using palladium  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJUL  a134-1410 v3073 a<p>Hydroesterification of 2-vinyl-6-methoxynaphthalene (VMN) to methyl ester of 6-methoxy naphthyl propionic acid (ester of naproxen) has been investigated using palladium complexes containing the chelating N(boolean AND)O and N(boolean AND)N ligands (pyridine-2-carboxylate, 2-acetylpyridine, 2-pyridine-carboxaldehyde, and bipyridine) as catalysts. Palladium complex containing 2-acetylpyridine as the ligand was found to be superior to other Pd-complexes. Both acid and halide promoters were necessary for high activity and selectivity. As an acid promoter, benzenesulfonic acid was found to be more effective compared to p-toluenesulfonic acid. Formation of ether 2-methoxy-6-(1-methoxyethyl)naphthalene and a polymer of VMN was observed in all the reactions. It was observed that active catalytic species generated during carbonylation reaction was responsible for the polymer formation. The effect of various parameters such as solvents, CO pressure, and alcohols on the catalytic activity as well as the selectivity was investigated. The turnover frequency using the complex Pd(acpy)(PPh(3))(OTs)(2) (acpy = 2-acetylpyridine) catalyst was found to be 42 h(-1), which is the highest for the hydroesterification of VMN. (C) 2009 Elsevier B.V. All rights reserved.</p>10aCarbonylation10aHydroesterification10aNaproxen10aPalladium complex10aPolymer of VMN10aPromoters1 aAtla, Shashi, B.1 aKelkar, Ashutosh, A.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/hydroesterification-2-vinyl-6-methoxynaphthalene-using-palladium-complexes-containing-002395nas a2200169   4500008004100000022001400041245011900055210006900174260007100243300001400314490000700328520168200335100002302017700002502040700002902065856013102094       2009                        eng d  a0888-588500aHydroformylation of 1,4-diacetoxy-2-butene using HRh(CO)(PPh3)(3) tethered on alumina as a catalyst: kinetic study0 aHydroformylation of 14diacetoxy2butene using HRhCOPPh33 tethered  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV  a9479-94890 v483 a<p>Hydroformylation of 1,4-diacetoxy-2-butene (DAB) was studied using [HRh(CO)(PPh3)(3)] complex catalyst tethered on alumina using phosphotungstic acid (PTA) as an anchoring agent, with the aim to understand the product distribution, selectivity, and intrinsic kinetics. It was observed that with the tethered heterogeneous catalyst a simultaneous hydroformylation followed by deacetoxylation steps was possible, which is relevant for combining two steps in the sequence of synthesis of vitamin-A intermediate [2-formyl-4-acetoxy butene (FAB)]. P-31 cross-polarization magic angle spinning nuclear magnetic resonance (CP MAS NMR) and infrared (IR) instrumental techniques were found be the most effective techniques to establish the catalyst structure and true heterogeneity. On the basis of the spectroscopic evidence, we postulate the loss of a PPh3 group during tethering to give HRh(CO)(PPh3)(2)-PTA-Al2O3 as a heterogeneous complex catalyst. Experimental data on the concentration-time and CO/H-2 consumption-time profiles were obtained and the effects of DAB concentration, CO partial pressure, H-2 partial pressure, and catalyst loading were studied in a 50 mL stirred batch reactor over a temperature range of 338-358 K. The analysis of solid-liquid-gas mass transfer effects was investigated to ensure that the reaction was operating in the kinetic regime Various models were developed, and the best model was chosen by a model discrimination procedure. The agreement between the model prediction and the experimental data was found to be excellent. The activation energies for the hydroformylation and deacetoxylation steps were found to be 42.5 and 80.2 kJ/mol.</p>1 aChansarkar, Rashmi1 aKelkar, Ashutosh, A.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/hydroformylation-14-diacetoxy-2-butene-using-hrhcopph33-tethered-alumina-catalyst-kinetic-001839nas a2200229   4500008004100000022001400041245010200055210006900157260007300226300001200299490000800311520099700319653001401316653001801330653001301348653001701361100002101378700002801399700002501427700002901452856012801481       2009                        eng d  a1381-116900aKinetics of arylation of 3-bromo-benzophenone with n-butylacrylate using NC palladacycle catalyst0 aKinetics of arylation of 3bromobenzophenone with nbutylacrylate   aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcAUG  a111-1160 v3093 a<p>The kinetics of arylation of n-butylacrylate (n-BA) with 3-bromo-benzophenone (BBP) using a monomeric palladacycle complex [Pd(ppy)(PPh(3))(OTs)](ppy=2-phenylpyridine) catalyst has been studied. The effect of concentration of the substrate, base (NaOAc), and catalyst was studied at three different temperatures (413-433 K). The rate was found to be first order with respect to catalyst, first order tending to zero order with respect to n-butylacrylate and NaOAc concentrations. The rate passed through a maximum with variation of BBP concentration. The observed results have been explained on the basis of formation of Pd species (PdX(2), PdX(3)(-), PdX(4)(2-), and Pd(2)X(6)(2-)) which are inactive for the Heck reaction. Various empirical rate equations were considered to fit the rate data and the best fitting model has been selected. The rates predicted by model were found to be in good agreement with the observed experimental data. (C) 2009 Elsevier B.V. All rights reserved.</p>10aArylation10aHeck reaction10akinetics10aPalladacycle1 aAtla, Shashi, B.1 aRajurkar, Kalpendra, B.1 aKelkar, Ashutosh, A.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetics-arylation-3-bromo-benzophenone-n-butylacrylate-using-nc-palladacycle-catalyst-001706nas a2200229   4500008004100000022001400041245009800055210006900153260006900222300001200291490000800303520085800311653003101169653001401200653001701214100002101231700002501252700002601277700002101303700002901324856012301353       2009                        eng d  a0022-328X00aNC palladacycles in the Heck arylation of ethylene: synthesis, structure and their reactivity0 aNC palladacycles in the Heck arylation of ethylene synthesis str  aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcMAR  a683-6900 v6943 a<p>Monomeric cyclopalladated complexes with NC coordination using ligands 2-phenylpyridine, 2-phenylquinoline, 8-methylquinoline have been synthesized and the structures have been determined by single crystal X-ray structure analysis. The crystal structures of monomeric palladacycles prepared using benzophenone oxime, and 2-phenylpyridine have also been determined. The use of these complexes in the Heck arylation of ethylene with 2-bromo-6-methoxynaphthalne (BMN) to give 2-vinyl-6-methoxynapthalene which is an intermediate for the synthesis of anti-inflammatory drug Naproxen has been examined and also arylation of ethylene with 3-bromo-benzophenone and 4-bromo-isobutylbenzene was investigated. These palladacycles with NC coordination show excellent catalytic activity with a TOF &gt; 4000 h (1). (C) 2008 Elsevier B.V. All rights reserved.</p>10aalpha-Aryl propionic acids10aArylation10aPalladacycle1 aAtla, Shashi, B.1 aKelkar, Ashutosh, A.1 aPuranik, Vedavati, G.1 aBensch, Wolfgang1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/nc-palladacycles-heck-arylation-ethylene-synthesis-structure-and-their-reactivity-001612nas a2200241   4500008004100000022001400041245012100055210006900176260005700245300001200302490000800314520069700322653002501019653003801044653001201082653001601094100002901110700002501139700002401164700002501188700002901213856012801242       2010                        eng d  a1011-372X00aCatalytic asymmetric transfer hydrogenation of ketones using [Ru(p-cymene)Cl-2](2) with chiral amino alcohol ligands0 aCatalytic asymmetric transfer hydrogenation of ketones using Rup  a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcSEP  a231-2380 v1383 a<p>Catalytic asymmetric transfer hydrogenation of aromatic alkyl ketones has been investigated using [Ru(p-cymene)Cl-2](2) and new derivatives of beta-amino alcohols synthesized from (S)-(-)-lactic acid and mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90%) and moderate to good enantioselectivities (40-86%). Asymmetric transfer hydrogenation of ketones has been investigated using [Ru(p-cymene)Cl-2](2) and beta-amino alcohols synthesized from (S)-(-)-lactic acid and Mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90%) and moderate to good enantioselectivities (40-86%).</p>10aAmino alcohol ligand10aAsymmetric transfer hydrogenation10aKetones10aRu catalyst1 aDeshpande, Sudhindra, H.1 aKelkar, Ashutosh, A.1 aGonnade, Rajesh, G.1 aShingote, Savita, K.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/catalytic-asymmetric-transfer-hydrogenation-ketones-using-rup-cymenecl-22-chiral-amino-002272nas a2200229   4500008004100000022001400041245012300055210006900178260007300247300001000320490000800330520141000338653001401748653001701762653001101779653002801790653002501818100002501843700002101868700002901889856012401918       2010                        eng d  a0926-860X00aHeterogenized copper catalysts for the amination of arylhalide: synthesis, characterization and catalytic applications0 aHeterogenized copper catalysts for the amination of arylhalide s  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN  a73-810 v3723 a<p>This research investigated the synthesis, characterization and catalytic activity of heterogenized copper complexes for the selective amination of aryl halides. Amination reactions using homogeneous copper catalyst systems are not generally selective and it is also difficult to recover the catalyst from the homogeneous system for recycling. To overcome these difficulties, our efforts were directed towards the development of cheaper heterogeneous catalyst systems, which can be easily recovered and recycled. Heterogenized analogs of the homogenous Cu complexes were prepared using two methods: (a) encapsulation of copper complexes in zeolite-Y and (b) tethering of copper complexes on various supports like zeolite-Y, silica, charcoal, or clay. The encapsulated and tethered copper catalysts on zeolite-Y were characterized using EPR, Diffused reflectance UV-vis, XRD, IAS, ICPES, SEM, and TEM. The results confirmed that the copper complexes were truly heterogenized in zeolite-Y support. Encapsulated and tethered copper complexes were tested for amination of aryl iodide. The effects of various reaction parameters were examined using tethered Cu(Phen)(PPh(3))Br-PTA-Y catalyst to determine optimum conditions. A recycle study of encapsulated and tethered Cu catalyst was carried out to test their robustness for possible commercial exploitation. (C) 2009 Elsevier B.V. All rights reserved.</p>10aAmination10aC-N coupling10aCopper10aheterogeneous catalysis10amesoporous materials1 aPatil, Nandkumar, M.1 aGupte, Sunil, P.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/heterogenized-copper-catalysts-amination-arylhalide-synthesis-characterization-and-001632nas a2200193   4500008004100000022001400041245008400055210006900139260007100208300001400279490000700293520090800300100002501208700001601233700002101249700002101270700002901291856011801320       2010                        eng d  a0888-588500aImmobilized palladium nanoparticles catalyzed oxidative carbonylation of amines0 aImmobilized palladium nanoparticles catalyzed oxidative carbonyl  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcFEB  a1027-10320 v493 a<p>Catalytic application of immobilized palladium nanoparticles for synthesis or ureas by oxidative carbonylation of amines has been investigated. This is the first report oil oxidative carbonylation of amines to ureas using immobilized palladium nanoparticles catalyst. The palladium nanoparticles were immobilized on a NaY zeolite support through 3-aminopropyl-trimethoxysilane (APTS) as anchoring agent. The [Pd]-APTS-Y catalyst along with NaI promoter showed high conversion and selectivity to the desired urea products over several amine compounds including ail example of an aliphatic amine precursor even at 333 K. The immobilized catalyst was easily separated and recycled several times without any loss of activity. The role of different solvents, iodide promoters, iodide to Pd ratio, concentration of substrates, and temperature on the overall yield of the reaction was also investigated.</p>1 aDidgikar, Mahesh, R.1 aRoy, Debdut1 aGupte, Sunil, P.1 aJoshi, Sunil, S.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/immobilized-palladium-nanoparticles-catalyzed-oxidative-carbonylation-amines-002098nas a2200253   4500008004100000022001400041245010300055210006900158260010600227300001200333490000700345520115900352653001001511653001401521653001301535653002501548653002201573653002501595653002501620100001601645700002401661700002901685856013001714       2010                        eng d  a0009-250900aKinetics of reductive alkylations of phenylenediamines: influence of substrates isomeric structure0 aKinetics of reductive alkylations of phenylenediamines influence  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcJAN  a232-2390 v653 a<p>Reductive alkylation of ortho-, meta- and para-phenylenediamines (PDAs) with methyl ethyl ketone (MEK) has been studied in a semi-batch slurry reactor in the presence of a commercial 3% Pt/Al(2)O(3) catalyst. It was observed that the PDA isomers differ remarkably from each other in their activity in reductive alkylation and product distribution. The activity was found to decrease in the following order: PPDA &gt; OPDA &gt; MPDA. To understand the substrate structure-activity correlation, the homogeneous equilibrium reactions involved in the alkylation step and the overall catalytic reactions were studied separately. Kinetics of reductive alkylation of PDAs with MEK as a solvent and alkylating agent with 3% Pt/Al(2)O(3) catalyst was studied in a semi-batch slurry reactor over a temperature range of 373-453K and pressure range of 2.07-6.21 MPa. Semi-batch slurry reactor models were developed and kinetic parameters were estimated by fitting the integral batch reactor data at different temperatures to understand the influence of different reaction steps on the activity and selectivity of different products. Published by Elsevier Ltd.</p>10aBatch10acatalysis10akinetics10aMultiphase reactions10aPhenylenediamines10aReaction engineering10aReductive alkylation1 aRoy, Debdut1 aChaudhari, Amit, S.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/kinetics-reductive-alkylations-phenylenediamines-influence-substrates-isomeric-structure-002196nas a2200265   4500008004100000022001400041245009500055210006900150260007300219300001000292490000800302520124600310653001001556653002301566653001801589653000901607653003701616100002501653700002101678700002101699700002601720700002901746700002901775856012601804       2011                        eng d  a1381-116900aOxidative carbonylation of amine using water-soluble palladium catalysts in biphasic media0 aOxidative carbonylation of amine using watersoluble palladium ca  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcJAN  a20-280 v3343 a<p>Application of water-soluble palladium catalysts for oxidative carbonylation of aniline to N,N' diphenyl urea (DPU) has been reported. The water-soluble palladium catalysts prepared from sulfonated N-containing ligands were found to be highly stable under reaction conditions and easily recyclable due to insoluble urea product in the reaction medium. This is in contrast to the sulfonated phosphine ligands, which are vulnerable to oxidation under reaction conditions, showing poor activity and stability. Commercially available as well as laboratory synthesized ligands were used for preparing water-soluble palladium catalysts, for oxidative carbonylation of aniline. The best activity was obtained for Pd complex with disodium 2,2'-bipyridine-4,4'-disulfonate (Bipy-DS) ligand. Under optimized conditions Pd(BipyDS)Pd(OAc)(2) catalyst gave TOF of similar to 210h(-1) with aniline conversion of similar to 97% with similar to 91% selectivity for N.N'-diphenyl urea. It was found that the catalyst was easily reusable up to five times, with negligible loss in the catalytic activity. The effect of reaction parameters was investigated and a plausible reaction mechanism has been proposed. (C) 2010 Elsevier B.V. All rights reserved.</p>10aAmine10aBiphasic catalysis10aCarbonylation10aUrea10aWater-soluble palladium catalyst1 aDidgikar, Mahesh, R.1 aJoshi, Sunil, S.1 aGupte, Sunil, P.1 aDiwakar, Makarand, M.1 aDeshpande, Raj, Madhukar1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/oxidative-carbonylation-amine-using-water-soluble-palladium-catalysts-biphasic-media-001777nas a2200217   4500008004100000022001400041245012800055210006900183260007300252300001200325490000800337520092300345653002301268653001801291653001901309653002501328653002201353100002301375700002901398856013201427       2012                        eng d  a0920-586100aAnchored Pd-complexes in mesoporous supports: synthesis, characterization and catalysis studies for carbonylation reactions0 aAnchored Pdcomplexes in mesoporous supports synthesis characteri  aPO BOX 211, 1000 AE AMSTERDAM, NETHERLANDSbELSEVIER SCIENCE BVcDEC  a154-1730 v1983 a<p>Pd(pyca)(PPh3)(OTs) [pyca = 2-picolinate] complex is efficiently anchored inside different mesoporous matrices, such as MCM-41, MCM-48, SBA-15 using a molecular aminopropyl tether moiety employing different synthesis strategies. Thorough characterization of the materials using powder XRD, multinuclear (C-13, Si-29, P-31) CP-MAS NMR, XPS, SEM, N-2-sorption studies etc. confirmed the successful anchoring of the palladium complex to the walls of the support matrices thus establishing the synthesis protocols unambiguously. The catalysts were found to be highly active and selective for the carbonylation of different aryl olefins and alcohols. Consecutive recycling and successful reuse proved the stability and true heterogeneous nature of all the anchored catalysts, which is a substantial advancement over the existing heterogeneous catalysts for carbonylation. (C) 2012 Elsevier B. V. All rights reserved.</p>10aAnchored catalysts10aCarbonylation10aImmobilization10amesoporous materials10aPalladium complex1 aSarkar, Bibhas, R.1 aChaudhari, Raghunath, V.  uhttps://library.ncl.res.in/content/anchored-pd-complexes-mesoporous-supports-synthesis-characterization-and-catalysis-studies-002588nas a2200217   4500008004100000022001400041245013100055210006900186260011000255300001600365490000600381520166900387100002902056700002502085700002502110700003102135700002602166700002902192700002502221856012402246       2015                        eng d  a2046-206900aRhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones0 aRhodium complex with unsymmetrical vicinal diamine ligand excell  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUN  a51722-517290 v53 a<p>New unsymmetrical vicinal diamine ligands with systematic variation in the regio and stereo positions in the amine and sulphonamide groups were synthesized from cheap starting material such as norephedrine. Catalytic Asymmetric Transfer Hydrogenation (ATH) of aromatic alkyl ketones has been investigated using transition metal complexes and new derivatives of monotosylated unsymmetrical vicinal diamine ligands using sodium formate as the hydrogen source, in water and methanol. Chiral secondary alcohols were obtained with excellent enantioselectivity (&gt;95% ee) and conversion of ketones (&gt;95%) with [Rh(Cp*)Cl-2](2) and ligand 4 as a catalyst. Enantioselectivity was found to be slightly higher with the use of methanol as a solvent for ATH of ketones with sodium formate as the hydrogen source compared to water as a solvent and was found to be consistent with all the ketones investigated. The reaction mixture is homogeneous in methanol unlike in water, where substrate and product are insoluble in water and form separate phase, sodium formate being soluble in water. The activity and enantioselectivity obtained for ATH of ketones using [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligand as catalyst was comparable with the C2 symmetric benchmark ligands like TsDPEN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-diphenylethylene- diamine), and TsCYDN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-cyclohexyl, diamine) under similar reaction conditions. To the best of our knowledge, this is first example of the ATH of ketones with good activity and high enantioselectivity with [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligands as catalyst systems.</p>1 aDeshpande, Sudhindra, H.1 aShende, Vaishali, S.1 aShingote, Savita, K.1 aChakravarty, Debamitra, K.1 aPuranik, Vedavati, G.1 aChaudhari, Raghunath, V.1 aKelkar, Ashutosh, A.  uhttps://library.ncl.res.in/content/rhodium-complex-unsymmetrical-vicinal-diamine-ligand-excellent-catalyst-asymmetric-0