【摘要】 用密度泛函方法研究了Zn催化二氯甲烷和二碘甲烷分别与(3Z,2S)戊3烯2醇反应的机理.计算表明,反应是吸热的.产物手性的决定步骤是环丙烷化.二碘甲烷与(3Z,2S)戊3烯2醇的反应具有明显的对映选择性,其反应显著快于二氯甲烷与(3Z,2S)戊3烯2醇的反应.更多还原

【Abstract】 The asymmetric reactions of dichloromethane and diiodomethane with (3Z,2S) pentan-3-enyl-2-ol catalyzed by zinc are studied by means of the density functional theory. As is shown, the reactions are exothermic. The key step determining the chirality of the products is the reaction leading to cyclopropane. The reaction of diiodomethane with (3Z,2S) pentan-3-enyl-2-ol is of high enantioselective selectivity and is much faster than the reaction of dichloromethane with (3Z,2S) pentan-3-enyl-2-ol.更多还原