Enantioselective Alkylation by Binaphthyl Chiral phase-transfer catalysts: A DFT-based conformational analysis

Takashi Kamachi; Kazunari Yoshizawa

doi:10.1021/ol4033545

Enantioselective Alkylation by Binaphthyl Chiral phase-transfer catalysts: A DFT-based conformational analysis

Takashi Kamachi, Kazunari Yoshizawa

Department of Fundamental Organic Chemistry

Research output: Contribution to journal › Article › peer-review

27 Citations (Scopus)

Abstract

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 the DFT-based conformational search toward the rational design of next-generation asymmetric phase transfer catalysts.

Original language	English
Pages (from-to)	472-475
Number of pages	4
Journal	Organic letters
Volume	16
Issue number	2
DOIs	https://doi.org/10.1021/ol4033545
Publication status	Published - Jan 17 2014

All Science Journal Classification (ASJC) codes

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry

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10.1021/ol4033545

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title = "Enantioselective Alkylation by Binaphthyl Chiral phase-transfer catalysts: A DFT-based conformational analysis",

abstract = "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 the DFT-based conformational search toward the rational design of next-generation asymmetric phase transfer catalysts.",

author = "Takashi Kamachi and Kazunari Yoshizawa",

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AB - 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 the DFT-based conformational search toward the rational design of next-generation asymmetric phase transfer catalysts.

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Enantioselective Alkylation by Binaphthyl Chiral phase-transfer catalysts: A DFT-based conformational analysis

Abstract

All Science Journal Classification (ASJC) codes

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