Palladium-catalyzed carbonylative coupling of aryl iodides and benzyl acetylenes to 3-alkylidenefuran-2-ones under mild conditions and its density functional theory modeling

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

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

A general and efficient method for the palladium-catalyzed carbonylative coupling of aryl iodides to benzyl acetylenes has been developed. Various furanones have been prepared in excellent yields from their corresponding benzyl acetylenes at room temperature under a CO atmosphere. For aliphatic alkynes, their corresponding alkynones were obtained in good yields. Detailed DFT calculations have also been carried out to understand the reaction pathway and the most probable reaction mechanism has been proposed.

Original languageEnglish
Pages (from-to)16177-16185
Number of pages9
JournalChemistry - A European Journal
Volume18
Issue number50
DOIs
StatePublished - 7 Dec 2012
Externally publishedYes

Keywords

  • carbonylation
  • coupling reactions
  • density functional calculations
  • furanones
  • palladium

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