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Palladium‐Catalyzed Carbonylative Coupling of Aryl Iodides and Benzyl Acetylenes to 3‐Alkylidenefuran‐2‐ones under Mild Conditions and Its Density Functional Theory Modeling
Author(s) -
Wu XiaoFeng,
Jiao Haijun,
Neumann Helfried,
Beller Matthias
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201202138
Subject(s) - palladium , aryl , catalysis , density functional theory , coupling (piping) , chemistry , computational chemistry , materials science , organic chemistry , metallurgy , alkyl
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.