Da-Gang Zhou

DFT Study on the Origin of 1,2-Regioselectivity in Cu2O-Catalyzed Addition of Acetonitrile to Cinnamaldehyde.

The synthesis of unsaturated β-hydroxy nitriles is of significant importance in pharmaceutical and materials chemistry. However, traditional transition-metal-catalyzed reactions of α,β-unsaturated carbonyls often suffer from poor regioselectivity, favoring the thermodynamically controlled 1,4-addition over the desired...