CONFORMATIONAL ASPECTS OF SOME ASYMMETRIC DIELS-ALDER REACTIONS - A MOLECULAR MECHANICS PLUS POLARIZATION STUDY

被引：31

作者：

TORRENS, F

RUIZLOPEZ, M

CATIVIELA, C

GARCIA, JI

MAYORAL, JA

机构：

[1] UNIV NANCY 1,CHIM THEOR LAB,CNRS,URA 510,BP 239,F-54510 VANDOEUVRE NANCY,FRANCE

[2] UNIV ZARAGOZA,CSIC,DEPT QUIM ORGAN & QUIM FIS,INST CIENCIA MAT ARAGON,E-50009 ZARAGOZA,SPAIN

来源：

TETRAHEDRON | 1992年 / 48卷 / 24期

关键词：

D O I：

10.1016/S0040-4020(01)90129-2

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The MM2 force field, improved by the inclusion of interacting induced dipole (ID) energies, is used to calculate the conformational preferences of three chiral dienophiles: Acrylate of (S)-ethyl lactate (1), N-acryloyl-L-phenylalanine methyl ester (2), and N-acryloyl-L-alanine methyl ester (3). The results obtained agree with the models previously proposed to account for the asymmetric induction obtained in the reaction of these dienophiles with cyclopentadiene.

引用

页码：5209 / 5218

页数：10

共 28 条

[1] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].