The Mechanistic Study in the Asymmetric Direct Aldol Reaction between α-Keto Esters and Acetone

A novel type of chiral diamines compound has been reported for the asymmetric aldol reaction between acetone and α-keto ester,which furnishes the chiral teriary alcohols up to 99% yield and up to 96% ee.DFT calculations were applied to simulate the possible transition states,and the relative energies for each transition state were obtained.The calculation results revealed the origin of enantionselectivity of the reaction.