Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States.
College of Chemistry and Molecular Sciences, Wuhan University, Wuhan, Hubei 430072, China.
J Am Chem Soc. 2022 Dec 21;144(50):23230-23238. doi: 10.1021/jacs.2c11505. Epub 2022 Dec 12.
Direct functionalization of carbonyl β C-H bonds without using directing groups has not been a trivial task, and it is even more challenging to realize the corresponding atom-economical transformations with common alkenes or alkynes as the coupling partner. Here, we describe the development of an iridium-catalyzed intramolecular direct β-alkenylation of ketones with regular alkynes. The reaction is redox neutral, avoids strong acids or bases, and tolerates various functional groups. The combined experimental and computational mechanistic studies reveal a hydride-transfer pathway, involving ketone α,β-desaturation, iridium-hydride-mediated alkyne insertion, conjugate addition, and α-protonation.
直接官能团化羰基β C-H 键而不使用导向基团一直不是一件简单的任务,而用常见的烯烃或炔烃作为偶联伙伴实现相应的原子经济性转化则更具挑战性。在这里,我们描述了铱催化的酮与普通炔烃的分子内直接β-烯基化反应的发展。该反应是氧化还原中性的,避免使用强酸或强碱,并能耐受各种官能团。综合实验和计算的机理研究揭示了一条涉及酮α,β-去饱和、铱-氢化物介导的炔烃插入、共轭加成和α-质子化的氢转移途径。