Chemical and Pharmaceutical Bulletin
Online ISSN : 1347-5223
Print ISSN : 0009-2363
ISSN-L : 0009-2363
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Ethereal C–O Bond Cleavage Mediated by Ni(0)-Ate Complex: A DFT Study
Kumiko KojimaZe-Kun YangChao WangMasanobu Uchiyama
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2017 Volume 65 Issue 9 Pages 862-868

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Abstract

Density functional theory calculations were performed to explore the mechanism of Ni-catalyzed cross-coupling reactions involving organo-lithium and -zinc reagents through ethereal C–O bond cleavage. Based on this work, together with our previous mechanistic study on etheric Kumada–Tamao reaction, we identify and characterize a novel catalytic cycle for cross-coupling mediated by Ni(0)-ate complex.

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© 2017 The Pharmaceutical Society of Japan
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