@article { ISI:000284515800005,
	title = {Combined experimental and density functional theory study on the Pd-mediated cycloisomerization of o-alkynylnitrobenzenes - synthesis of isatogens and their evaluation as modulators of ROS-mediated cell death},
	journal = {European Journal of Organic Chemistry},
	number = {31},
	year = {2010},
	month = {NOV},
	pages = {5955-5966},
	publisher = {WILEY-V C H VERLAG GMBH},
	address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY},
	abstract = {<p>Highly selective cycloisomerization of o-alkynylnitrobenzenes, leading to isatogens, has been achieved by employment of a Pd-II complex. This reaction is very general and functional-group-tolerant. The possible mechanism of this reaction was investigated with the help of DFT calculations. Three possible pathways - namely, the addition of the nitro group either in (i) 5-exo-dig or (ii) 6-endo-dig mode and (iii) halopalladation - and subsequent intramolecular events have been considered and studied in detail. These investigations revealed that pathway (i) is the favored route to isatogen formation. A preliminary screening of the available isatogens reveals the 2-alkylisatogens to be novel ROS scavengers capable of inhibiting cellular necroptosis.</p>},
	keywords = {Anthranil, cyclization, Density functional calculations, isatogens, Nitro-alkyne cycloisomerization, Palladium},
	issn = {1434-193X},
	doi = {10.1002/ejoc.201000769},
	author = {Ramana, Chepuri V. and Patel, Pitambar and Vanka, Kumar and Miao, Benchun and Degterev, Alexei}
}
