钯催化分子内芳基化反应的质子提取机理
Proton abstraction mechanism for the palladium-catalyzed intramolecular arylation.
作者信息
García-Cuadrado Domingo, Braga Ataualpa A C, Maseras Feliu, Echavarren Antonio M
机构信息
Institute of Chemical Research of Catalonia (ICIQ), Tarragona, Spain.
出版信息
J Am Chem Soc. 2006 Feb 1;128(4):1066-7. doi: 10.1021/ja056165v.
PMID:16433509
Abstract
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.
摘要
在通常条件下，钯催化的芳基化反应不涉及亲电芳香取代反应。基于密度泛函理论（DFT）计算，我们提出了一种钯催化芳基化反应的机理，该机理涉及碳酸酯或相关配体夺取质子，并且能对实验数据给出令人满意的解释。
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