期刊
JOURNAL OF MOLECULAR MODELING
卷 28, 期 9, 页码 -出版社
SPRINGER
DOI: 10.1007/s00894-022-05265-x
关键词
Indole; C-H functionalization; Mechanism; Regioselectivity; Transition-metals
类别
资金
- Bioinformatics Center of Nanjing Agricultural University
Indole compounds are commonly found in natural products and drug candidates. The transition-metal-catalyzed regioselective C-H bond functionalization of indoles has been extensively studied in the past two decades. However, the general rules of regioselectivity are still unclear.
Indole compounds are widely found in natural products and drug candidates. The transition-metal-catalyzed regioselective C-H bond functionalization of indoles as the most efficient method for the synthesis of various functionalized indoles has been extensively studied in the past two decades due to its advantages of step economy and atom economy. In general, the catalysts included the transition-metals (Pd, Rh, Ru, Cu, Co, Fe, Zn, and Ga) and these reactions were accomplished with a remarkably wide range of coupling reagents for construction of various C-C and C-X (X =N, O, S) bonds. However, the general and important rules of the regioselectivity are not clear to date. Therefore, a comprehensive analysis through previous reported theoretical studies on transition-metal-catalyzed regioselective C-H bond functionalization of indoles was crucial and significant. In this review, we found that when the C-H bond activation process was the rate-determining step, the regioselectivity ordinarily occurred at the C7 or C4 positions (on benzene ring), and otherwise, the regioselectivity often occurred at C2 position (on pyrrole ring). For indoline substrates, the C-H bond functionalization occurred at the benzene ring.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据