The Effect of Substituents on the Conformational Mobility of the Heterocycle in 1,4-Dihydropyrimidine and its Derivatives

Authors

O. V. Shishkin, Kharkov State UniversityFollow
S. M. Desenko, Kharkov State University
V. D. Orlov, Kharkov State University
Sergey Lindeman, Marquette UniversityFollow
Yu T. Struchkov, Russian Academy of SciencesFollow

Document Type

Article

Language

eng

Publication Date

8-1994

Publisher

Springer

Source Publication

Russian Chemical Bulletin

Source ISSN

1066-5285

Abstract

The equilibrium geometry of 1,4-dihydropyrimidine, 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine, and their alkyl (Me, Et, Prⁱ, Bu^t) and phenyl derivatives has been calculated by molecular mechanics method. The equilibrium conformation of unsubstituted molecules is planar, but it is easily transformed to the boat conformation with a small change in the conformational energy. The effect of substituents on the geometry and conformational mobility of the dihydropyrimidine ring has been studied.

Comments

Russian Chemical Bulletin, Vol. 43, No. 8 (August 1994): 1320-1323. DOI.

Sergey Lindeman was affiliated with Russian Academy of Sciences at the time of publication.

Recommended Citation

Shishkin, O. V.; Desenko, S. M.; Orlov, V. D.; Lindeman, Sergey; and Struchkov, Yu T., "The Effect of Substituents on the Conformational Mobility of the Heterocycle in 1,4-Dihydropyrimidine and its Derivatives" (1994). Chemistry Faculty Research and Publications. 671.
https://epublications.marquette.edu/chem_fac/671