摘要/Abstract

基于二乙基锌与苯甲醛不对称加成反应中催化剂的构象和对映选择性关系的数学表达式，通过对手性催化剂的动态构象行为的对映选择性分析，详细描述了一个理性设计手性配体的方法，即从一个最简单的只含有一个手性中心的β-氨基醇出发，通过对催化剂动态构象行为的合理控制，理性设计出几乎是所有报道的具有高对映选择性的β-氨基醇类手性配体，共94个.
关键词: 对映选择性分析, 构象控制, 理性设计, 手性配体, 二乙基锌
A detailed logic-guided approach towards chiral ligands design is described via the enantioselective analysis of the dynamic conformational behaviors of catalyst, which is based on a mathematical relationship between conformations and enantioselectivity, for asymmetric addition of diethylzinc to benzaldehyde. Following this logic thought, 94 examples, almost all highly enantioselective β-aminoalcohol ligands reported, can be rationally devised by the logic control of the dynamic conformational behaviors of the catalyst from the simplest β-aminoalcohol with one single chiral center as starting point.
Key words: enantioselective analysis, conformational control, rational design, chiral ligand, diethylzinc


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