ON THE ORIGIN OF PI-FACIAL DIASTEREOSELECTIVITY IN NUCLEOPHILIC ADDITIONS TO CHIRAL CARBONYL-COMPOUNDS .4. CALCULATED TRANSITION-STATE STRUCTURES FOR THE ADDITION OF NUCLEOPHILES TO 2-METHOXYPROPANAL AND 2-N,N-DIMETHYLAMINOPROPANAL

被引：31

作者：

FRENKING, G ^{[1
]}

KOHLER, KF ^{[1
]}

REETZ, MT ^{[1
]}

机构：

[1] MAX PLANCK INST COAL RES,W-4330 MULHEIM,GERMANY

来源：

TETRAHEDRON | 1993年 / 49卷 / 19期

关键词：

D O I：

10.1016/S0040-4020(01)89912-9

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The transition state structures of the nucleophilic addition of LiH to 2-methoxypropanal and 2-N,N-dimethylaminopropanal have been calculated using ab initio methods at the MP2/6-31G*//3-21G level of theory. The analysis of the theoretical data shows that Coulombic, electronic and steric interactions as well as conformational energies may be dominant for determining the energetically lowest lying transition states.

引用

页码：3983 / 3994

页数：12