Chemistry of the 2, 5-didehydropyridine biradical: Computational, kinetic, and trapping studies toward drug design

J Hoffner, MJ Schottelius, D Feichtinger…

Index: Hoffner, Johannes; Schottelius, Marc J.; Feichtinger, Derek; Chen, Peter Journal of the American Chemical Society, 1998 , vol. 120, # 2 p. 376 - 385

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Citation Number: 132

Abstract

A combined computation, kinetic, and trapping study of the 2, 5-didehydropyridine biradical finds the hydrogen abstraction reaction to be tunable by protonation. The observation of small amounts of pyridine products in the thermolysis of a C, N-dialkynylimine, or azaenediyne, only when the reaction occurs in the presence of moderate amounts of protic acid, is consistent with qualitative theoretical predictions as well as ab initio calculations at ...