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Progress in Carbonylative‐Heck Reactions of Aryl Bromides: Catalysis and DFT Studies
Author(s) -
Wu XiaoFeng,
Jiao Haijun,
Neumann Helfried,
Beller Matthias
Publication year - 2011
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201000356
Subject(s) - carbonylation , aryl , catalysis , chemistry , heck reaction , palladium , yield (engineering) , organic chemistry , coupling reaction , reaction mechanism , photochemistry , carbon monoxide , materials science , alkyl , metallurgy
Abstract Improved palladium‐catalyzed carbonylative Heck coupling reactions of aryl bromides with styrenes are described. Applying a [{(cinnamyl)PdCl} 2 ]/PPh 3 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.