02511nas a2200289   4500008004100000245010800041210006900149260000900218300001600227490000600243520146800249653003101717653001601748653003301764653004401797653003501841100001801876700002401894700003001918700002901948700002401977700002602001700002202027700001902049700002202068856013102090       2023                        eng d00aShape-controlled MoO3/MnO x nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs0 aShapecontrolled MoO3MnO x nanocatalyst for the selective synthes  cDEC   a23442-234530 v63 a<p>
	We have developed a highly effective shape-controlled MoO3/MnOx nanocatalyst for the selective synthesis of 2-phenylquinoxaline drug motifs at room temperature without any external oxidant. Electron microscopy images reveal that the MnOx material contains rod-shaped particles (length: 500-1000 nm and width: 150-200 nm) and the MoO3 species are uniformly dispersed in the MoO3/MnOx material. The MoO3/MnOx nanocatalyst calcined at 500 degrees C (MoO3/MnOx-5) contains abundant strong acid sites and an optimum ratio of Mn4+/Mn3+, which are responsible for the C-N cross-coupling reaction between 2-phenylethylamine and o-phenylenediamine, giving higher yields (&gt;96%) of 2-phenylquinoxaline at mild conditions. The broad scope of this catalytic strategy at room temperature and without an external oxidant was confirmed by achieving &gt;90% yields of functional 2-phenylquinoxalines from C-N cross-coupling of various o-phenylenediamines and 2-phenylethylamines. The outstanding reusability efficiency of the MoO3/MnOx-5 nanocatalyst up to five cycles without the need for a regeneration step as well as the effective scalability highlighted the practicability of the MoO3/MnOx-based catalytic protocol for carbon-heteroatom coupling reactions at room temperature and without an external oxidant. Using computational studies, the possible reasons for the selective synthesis of 2-phenylquinoxaline over the MoO3/MnOx-5 nanocatalyst were elucidated.</p>
10acascade C-N cross-coupling10aDFT studies10aroom temperature andopen air10ashape-controlled MoO3/MnOx nanocatalyst10astructure-activity correlation1 aSingh, Nittan1 aPutla, Suresh, Babu1 aSingh, Chandrodai, Pratap1 aKalbande, Pavan, Narayan1 aChoudhary, Priyanka1 aKrishnamurty, Sailaja1 aKrishnan, Venkata1 aBhatte, Kushal1 aSudarsanam, Putla  uhttps://library.ncl.res.in/content/shape-controlled-moo3mno-x-nanocatalyst-selective-synthesis-2-phenylquinoxaline-drug-motifs