The fine balance between one cross-coupling and two β-hydride elimination pathways: a DFT mechanistic study of Ni(π-allyl)2-catalyzed cross-coupling of alkyl halides and alkyl Grignard reagents

被引：14
作者：
Chass, Gregory A. [1 ,2 ]
Kantchev, Eric Assen B. [1 ]
Fang, De-Cai [1 ,3 ]
机构：
[1] GIOCOMMS, Toronto, ON M5S 2L2, Canada
[2] Univ Wales, Sch Chem, Bangor LL57 2UW, Gwynedd, Wales
[3] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China
来源：
CHEMICAL COMMUNICATIONS | 2010年 / 46卷 / 16期
基金：
英国工程与自然科学研究理事会;
关键词：
ETHYLENE POLYMERIZATION; COMPLEXES; CATALYSTS; ENERGIES; NICKEL; IMOMM; NI; PD;
D O I：
10.1039/b922326f
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The model cross-coupling of EtBr with EtMgCl mediated by Ni(pi-allyl)(2) proceeds by a catalytic cycle commencing with transmetalation establishing a novel Mg-allyl interaction, followed by Mg-assisted oxidative addition (the rate-determining step), followed by reductive elimination having much lower barrier than 2 competing beta-hydride elimination pathways, and completed by departure of MgBrCl.
引用
收藏
页码：2727 / 2729
页数：3
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