Accelerated Ru–Cu Trinuclear Cooperative C−H Bond Functionalization of Carbazoles: A Kinetic and Computational Investigation

Alexander W. Jones, Christian K. Rank, Yanik Becker, Christian Malchau, Ignacio Funes-Ardoiz, Feliu Maseras, Frederic W. Patureau

Research output: Contribution to journalArticleResearch

5 Citations (Scopus)

Abstract

© 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. The mechanism of a trinuclear cooperative dehydrogenative C−N bond-forming reaction is investigated in this work, which avoids the use of chelate-assisting directing groups. Two new highly efficient Ru/Cu co-catalyzed systems were identified, allowing orders of magnitude greater TOFs than the previous state of the art. In-depth kinetic studies were performed in combination with advanced DFT calculations, which reveal a decisive rate-determining trinuclear Ru–Cu cooperative reductive elimination step (CRE).
Original languageEnglish
Pages (from-to)15178-15184
JournalChemistry - A European Journal
Volume24
DOIs
Publication statusPublished - 12 Oct 2018

Keywords

  • cooperative reductive elimination
  • cross dehydrogenative coupling
  • C−H bond activation
  • dehydrogenative amination
  • trinuclear catalysis

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