Quantum chemical investigation of the mechanism of the reaction of pyridines with trichloromethylarenes

Abstract

Models of the major end products and intermediate products, previously detected in a study of the mechanism of the interaction of trichloromethylarenes with pyridines, were calculated by a semiempirical quantum chemical MNDO method. Models of some putative unstable intermediates of the key redox step of the process under consideration — the aromatization of 4-chloro- or 4-pyridino-substituted 1-(α,α-dichloroarylmethyl)-1,4-dihydropyridines with transfer of hydrogen from the 4-position of the dihydropyridine ring to the benzyl dichloromethylene group and the formation of N-(α-chloroarylmethyl)-4-cliloropyridinium chlorides of N-(α-chloroarylmethyl)-4-pyridinopyridinium dichlorides, were also calculated.

How to Cite
Belen'kii, L. I.; Chuvylkin, N. D. Chem. Heterocycl. Compd. 1995, 31, 1346. [Khim. Geterotsikl. Soedin. 1995, 1551.]

For this article in the English edition, see DOI https://doi.org/10.1007/BF01168630