Intermediacy of an N-heterocyclic carbene complex in the catalytic C-H activation of a substituted benzimidazole
Intermediacy of an N-heterocyclic carbene complex in the catalytic C-H activation of a substituted benzimidazole
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DOI：
10.1021/ja017351d
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发表时间：
2002-04-03
影响因子：
15
通讯作者：
Ellman, JA
中科院分区：
文献类型：
--
作者：
Tan, KL;Bergman, RG;Ellman, JA
在Rh（I）催化的烯基与取代苯并咪唑的C-H键的分子内偶联反应中，发现N-杂环卡宾络合物是活性催化剂。动力学研究表明，催化环化反应在底物中为零级反应，在催化剂中为一级反应。此外，用模型系统的DFT计算表明，限速步骤涉及将烯基双键插入铑-卡宾键。
An N-heterocyclic carbene complex was found to be the active catalyst in the Rh(I)-catalyzed intramolecular coupling of an alkenyl group to a C−H bond of a substituted benzimidazole. Kinetic studies demonstrated that the catalytic cyclization is zero-order in substrate and first-order in catalyst. Furthermore, DFT calculations with a model system suggest that the rate-limiting step involves insertion of the alkenyl double bond into the rhodium−carbene bond.