Quantum chemical study on asymmetric allylation of benzaldehyde in the presence of chiral allylboronate

被引：0

作者：

陈万锁

陈志荣

机构：

[1] Center of Unilab Chemical Engineering Reaction & Department of Chemical Engineering

[2] Zhejiang University

[3] China

[4] Hangzhou 310027

来源：

JournalofZhejiangUniversityScience | 2005年 / 06期

关键词：

Benzaldehyde; Asymmetric allylation; DFT;

D O I：

暂无

中图分类号：

O621.25 [];

学科分类号：

070303 ; 081704 ;

摘要：

The quantum chemical method is employed to study the modified asymmetric allylation of benzaldehyde controlled by diisopropyl D-(-)-tartrate auxiliary. All the structures are optimized completely at the B3LYP/6-31G(d,p) level. The (R)-secondary alcohol can be achieved mainly through a six-membered ring chair-like transition state structure. From the relative reaction rates theory the main product configuration predicted is in agreement with the experiment result.

引用

页码：606 / 610

页数：5