Progress in Carbonylative-Heck Reactions of Aryl Bromides: Catalysis and DFT Studies

Xiao Feng Wu, Haijun Jiao, Helfried Neumann, Matthias Beller

Research output: Contribution to journalArticlepeer-review

62 Scopus citations

Abstract

Improved palladium-catalyzed carbonylative Heck coupling reactions of aryl bromides with styrenes are described. Applying a [{(cinnamyl)PdCl}2]/PPh3 catalyst system, >20 chalcones with various functional groups were synthesized in 45-90% yield. The reaction mechanism of this coupling reaction was studied by detailed DFT computations, which show that the carbonylation step is reversible.

Original languageEnglish
Pages (from-to)726-733
Number of pages8
JournalChemCatChem
Volume3
Issue number4
DOIs
StatePublished - 11 Apr 2011
Externally publishedYes

Keywords

  • Chalcones
  • Density functional calculations
  • Palladium
  • Styrenes

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