THE EFFECT OF SUBSTITUENTS ON THE CONFORMATIONAL MOBILITY OF THE HETEROCYCLE IN 1,4-DIHYDROPYRIMIDINE AND ITS DERIVATIVES

被引：6

作者：

SHISHKIN, OV ^{[1
]}

DESENKO, SM ^{[1
]}

ORLOV, VD ^{[1
]}

LINDEMAN, SV ^{[1
]}

STRUCHKOV, YT ^{[1
]}

机构：

[1] RUSSIAN ACAD SCI,AN NESMEYANOV ORGANOELEMENT CPDS INST,MOSCOW 117813,RUSSIA

来源：

RUSSIAN CHEMICAL BULLETIN | 1994年 / 43卷 / 08期

关键词：

1,4-DIHYDROPYRIMIDINE; 4,7-DIHYDRO-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE; CONFORMATIONAL ANALYSIS; MOLECULAR MECHANICS; CONFORMATIONAL MOBILITY; PARTIALLY HYDROGENATED HETEROCYCLES;

D O I：

10.1007/BF00703685

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The equilibrium geometry of 1,4-dihydropyrimidine, 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine, and their alkyl (Me, Et, Pr-i, 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.

引用

页码：1320 / 1323

页数：4

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