Chin. J. Org. Chem. ›› 2005, Vol. 25 ›› Issue (07): 822-825. Previous Articles     Next Articles

Original Articles

苯甲醛不对称烯丙基化反应研究

陈万锁*,陈志荣   

  1. (浙江大学化工系联合反应工程研究所 杭州 310027)
  • 收稿日期:2004-08-23 修回日期:2005-01-24 发布日期:2005-06-30
  • 通讯作者: 陈万锁

Quantum Chemical Study on Asymmetric Allylation of Benzaldehyde

CHEN Wan-Suo*,CHEN Zhi-Rong   

  1. (Department of Chemical Engineering, Zhejiang University, Hangzhou 310027)
  • Received:2004-08-23 Revised:2005-01-24 Published:2005-06-30
  • Contact: CHEN Wan-Suo

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

Key words: benzaldehyde, density functional theory, asymmetric allylation