期刊
JOURNAL OF ORGANIC CHEMISTRY
卷 80, 期 18, 页码 9264-9271出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.joc.5b01695
关键词
-
资金
- MEXT [24245005, 15H00938, 15H02158]
- Fukui Institute for Fundamental Chemistry (FIFC)
- Grants-in-Aid for Scientific Research [15H02158, 15H00938, 26220803] Funding Source: KAKEN
The mechanism of the C-H activation of aldehydes and the succeeding acylation of an alkene using a hypervalent iodine reagent is investigated by theoretical calculations. In contrast to the initial proposed mechanism, the present calculations show that the hypervalent iodine is the initiator of the radical reaction. The formation of acyl radical is rate-determining, and the resulting radical acts as the chain carrier. The kinetic isotope effect (KIE) of deuterated aldehyde, as well as other experimental observations, can now be rationalized from the newly proposed mechanism.
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