环氧化物向马氏醇的区域选择性开环反应：一种使用反常N-杂环卡宾的无金属催化方法。
Regioselective ring-opening of epoxides towards Markovnikov alcohols: a metal-free catalytic approach using abnormal N-heterocyclic carbene.
作者信息
P Sreejyothi, Sarkar Pallavi, Dutta Supriti, Das Arpan, Pati Swapan K, Mandal Swadhin K
机构信息
Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur Campus, Nadia, 741246, West Bengal, India.
Theoretical Sciences Unit, School of Advanced Materials (SAMat), Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560064, India.
出版信息
Chem Commun (Camb). 2022 Aug 23;58(68):9540-9543. doi: 10.1039/d2cc03549a.
Herein we report the first metal-free regioselective Markovnikov ring-opening of epoxides (selectivity up to 99%) using an abnormal N-heterocyclic carbene (aNHC) to yield secondary alcohols. DFT calculations and X-ray crystallography suggest that the Markovnikov selectivity originates from the high nucleophilicity and steric factors associated with the aNHC.
在此，我们报道了首例使用异常氮杂环卡宾（aNHC）实现的环氧化物无金属区域选择性马尔科夫尼科夫开环反应（选择性高达99%），以生成仲醇。密度泛函理论（DFT）计算和X射线晶体学表明，马尔科夫尼科夫选择性源于与aNHC相关的高亲核性和空间因素。
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