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Heterobifunctional Rotaxanes for Asymmetric Catalysis.
Angewandte Chemie International Edition ( IF 16.6 ) Pub Date : 2019-12-02 , DOI: 10.1002/anie.201913781
Noël Pairault 1 , Hui Zhu 2 , Dennis Jansen 1 , Alexander Huber 1 , Constantin G Daniliuc 3 , Stefan Grimme 2 , Jochen Niemeyer 1
Affiliation  

Heterobifunctional rotaxanes serve as efficient catalysts for the addition of malonates to Michael acceptors. We report a series of four different heterobifunctional rotaxanes, featuring an amine-based thread and a chiral 1,1'-binaphthyl-phosphoric-acid-based macrocycle. High-level DFT calculations provided mechanistic insights and enabled rational catalyst improvements, leading to interlocked catalysts that surpass their non-interlocked counterparts in terms of reaction rates and stereoselectivities.

中文翻译:

用于不对称催化的异双功能轮烷。

异双功能轮烷是将丙二酸酯添加到迈克尔受体上的有效催化剂。我们报告了一系列的四个不同的异双功能轮烷,具有基于胺的线和基于手性的1,1'-联萘基磷酸的大环化合物。高水平的DFT计算提供了机械方面的见解,并能够合理地改进催化剂,从而使互锁催化剂在反应速率和立体选择性方面超过了非互锁催化剂。
更新日期:2020-01-16
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