American Chemical Society
ja056165v_si_001.pdf (1.14 MB)

Proton Abstraction Mechanism for the Palladium-Catalyzed Intramolecular Arylation

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journal contribution
posted on 2006-02-01, 00:00 authored by Domingo García-Cuadrado, Ataualpa A. C. Braga, Feliu Maseras, Antonio M. Echavarren
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.