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 satisfactory explanation for the experimental data.
García-Cuadrado
Domingo
D
Institute of Chemical Research of Catalonia (ICIQ), Tarragona, Spain.
Braga
Ataualpa A C
AA
Maseras
Feliu
F
Echavarren
Antonio M
AM