Proton Abstraction Mechanism for the Palladium-Catalyzed Intramolecular Arylation

Under the usual conditions, the Pd-catalyzed arylation does not involve an electrophilic aromatic substitution reaction. On the basis of DFT calculations, we propose a mechanism for the Pd-catalyzed arylation that involves a proton abstraction by a carbonate or related ligand and that provides a sat...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2006-02, Vol.128 (4), p.1066-1067
Main Authors: García-Cuadrado, Domingo, Braga, Ataualpa A. C, Maseras, Feliu, Echavarren, Antonio M
Format: Article
Language:English
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Summary:Under the usual conditions, the Pd-catalyzed arylation does not involve an electrophilic aromatic substitution reaction. On the basis of DFT calculations, we propose a mechanism for the Pd-catalyzed arylation that involves a proton abstraction by a carbonate or related ligand and that provides a satisfactory explanation for the experimental data.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja056165v