Reductive Coupling of Aryl Halides via C-H Activation of Indene
作者机构：College of Chemistry and Chemical EngineeringGonsu International Scientific and Technological Cooperation Base of Water-Retention Chemical Functional MaterialsNorthwest Normal UniversityLanzhouGansu 730070China State Key Laboratory of Applied Organic ChemistryLanzhou UniversityLanzhouGansu 730000China Department of Chemistry and Centre for Scientific Modeling and ComputationChinese University of Hong KongShatinHong KongChina
出 版 物：《Chinese Journal of Chemistry》 (中国化学（英文版）)
年 卷 期：2021年第39卷第6期
页 面：1573-1579页
核心收录：
学科分类：07[理学] 070303[理学-有机化学] 0703[理学-化学]
基 金：the National Natural Science Foundation of China(Nos.NSF22061038,NSF22067018) the Long Yuan Youth Innovative Project of Gansu Province(No.2019-39) the Northwest Normal University Young Scholars Research Capacity Improvement Program(No.NWNU-LKQN-2020-04) Computations reported in this paper were performed on the computer clusters at the Centre for Scientific Modeling and Computation,CUHK.
主 题：C-C coupling Palladium Reduction Indene C-H activation
摘 要：This paper describes the first case of a reductive coupling reaction with indene,a non-heteroatom olefin used as a reducing agent.The scope of the substrate is wide.The homo-coupling,cross-coupling,and synthesis of 12 and 14-membered rings were realized.The control experiment,indene-product curve and density functional theory calculations showed that the η^(3)-palladium indene intermediate was formed by C-H activation in the presence of cesium carbonate.We speculate that the final product was obtained through a Pd(IV)intermediate or aryl ligand exchange.In addition,we excluded the formation of palladium anion(Pd(0)^(-))intermediates.
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