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从计算角度看胺在PhICl活化中的催化作用。

Catalytic role of amines in activation of PhICl from a computational point of view.

作者信息

Farshadfar Kaveh, Ariafard Alireza

机构信息

Department of Chemistry, Islamic Azad University, Central Tehran Branch, Poonak, Tehran 1469669191, Iran.

School of Natural Sciences, University of Tasmania, Private Bag 75, Hobart TAS 7001, Australia.

出版信息

Chem Commun (Camb). 2021 Sep 9;57(72):9108-9111. doi: 10.1039/d1cc03618a.

DOI:10.1039/d1cc03618a
PMID:34498641
Abstract

We thoroughly investigated mechanistic features of dichlorination of diazoacetates using PhICl catalysed by pyridine. We found that the pyridine serves as a catalyst for decomposition of PhICl to PhI and Cl, leading to the dichlorination step being driven by the generated Cl. This type of activation was found to be applicable to other amine-catalysed chlorination reactions using PhICl.

摘要

我们深入研究了吡啶催化的PhICl对重氮乙酸酯进行二氯化反应的机理特征。我们发现吡啶可作为将PhICl分解为PhI和Cl的催化剂,从而使二氯化步骤由生成的Cl驱动。我们发现这种活化类型适用于其他使用PhICl的胺催化氯化反应。

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