Proceedings of the Symposium on Chemoinformatics
37th Symposium on Chemical Information and Computer Sciences, Toyohashi
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Host: Division of Chemical Information and Computer Science, The Chemical Society of Japan

Co-host: The Pharmaceutical Society of Japan, Japan Society for Bioscience, Biotechnology, and Agrochemistry, The Japan Society for Analytical Chemistry, Society of Computer Chemistry, Japan, Japanese Society for Information and Systems in Education (Approaval)

Poster Session
Computational Study of Asymmetric Intramolecular Cyclopropanation Reaction Mechanism by using Ru(II)-Pheox complex.
*Yoko Nakagawa, Soda Chanthamath, Naofumi Nakayama, Hitoshi Goto, Kazutaka Shibatomi, Seiji Iwasa
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Keywords: intramolecular cyclopropanation, Ru-catalyst, reaction mechanism
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Pages P09

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Abstract
Ru(II)-Pheox complex was found to be efficient catalyst for intramolecular cyclopropanation to afford cyclopropane-fused γ-lactones in high yield with excellent enantioselectivity (up to 99% ee). In this work, the mechanism of Ru(II)-Pheox catalyzed intramolecular cyclopropanation has been studied computationally.
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