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

• 作 者: 陈万锁 陈志荣
• 机 构: CenterofUnilabChemicalEngineeringReaction＆DepartmentofChemicalEngineering
• 出 处: Journal of Zhejiang University Science
• 发表日期: 2005年6期
• 关键词: 量子化学 不对称性 烯丙基化 DFT 苯甲醛 化学结构 Benzaldehyde Asymmetric allylation DFT

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 ca