Enantioselective alkylation by binaphthyl chiral phase-transfer catalysts: a DFT-based conformational analysis.


A conformational search method based on the density functional theory (DFT) was successfully applied to explore a mechanism for the highly enantioselective alkylation by binaphthyl-modifed chiral phase-transfer catalysts. Key interactions that govern the enantioselectivity were analyzed. The computational results are encouraging for further application of… (More)
DOI: 10.1021/ol4033545


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