重新思考克莱森-蒂施切克反应。
Rethinking the Claisen-Tishchenko Reaction.
机构信息
Department of Chemistry and Biochemistry, Wilfrid Laurier University, 75 University Ave. W., Waterloo, ON, N2L 3C5, Canada.
出版信息
Angew Chem Int Ed Engl. 2017 May 22;56(22):6228-6231. doi: 10.1002/anie.201611186. Epub 2017 Jan 9.
PMID:28067445
Abstract
Pincer-type complexes [OsH (CO){PyCH NHCH CH NHPtBu }] and [OsH (CO){HN(CH CH PiPr ) }] catalyze the disproportionation reaction of aldehydes via an outer-sphere bifunctional mechanism achieving turnover frequencies up to 14 000 h . The N-H group of the catalysts is a key player in this process, elucidated with the help of DFT calculations.
摘要
夹型配合物[OsH(CO){PyCHNHCHCHNHPtBu}]和[OsH(CO){HN(CHCHPiPr )}]通过外球双功能机制催化醛的歧化反应，实现了高达 14000 h 的转化频率。催化剂中的 N-H 基团是该过程的关键因素，这一结论是借助密度泛函理论计算得出的。
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