Ethereal C–O Bond Cleavage Mediated by Ni(0)-Ate Complex: A DFT Study

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Author(s)

    • Yang Ze-Kun Yang Ze-Kun
    • Graduate School of Pharmaceutical Sciences, the University of Tokyo|Advanced Elements Chemistry Research Team, RIKEN Center for Sustainable Resource Science, and Elements Chemistry Laboratory, RIKEN
    • Wang Chao Wang Chao
    • Graduate School of Pharmaceutical Sciences, the University of Tokyo|Advanced Elements Chemistry Research Team, RIKEN Center for Sustainable Resource Science, and Elements Chemistry Laboratory, RIKEN
    • Uchiyama Masanobu Uchiyama Masanobu
    • Graduate School of Pharmaceutical Sciences, the University of Tokyo|Advanced Elements Chemistry Research Team, RIKEN Center for Sustainable Resource Science, and Elements Chemistry Laboratory, RIKEN

Abstract

<p>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.</p>

Journal

  • Chemical and Pharmaceutical Bulletin

    Chemical and Pharmaceutical Bulletin 65(9), 862-868, 2017

    The Pharmaceutical Society of Japan

Codes

  • NII Article ID (NAID)
    130006038328
  • NII NACSIS-CAT ID (NCID)
    AA00602100
  • Text Lang
    ENG
  • ISSN
    0009-2363
  • NDL Article ID
    028470274
  • NDL Call No.
    Z53-D167
  • Data Source
    NDL  J-STAGE 
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