Development of Asymmetric C-H Bond Activation Catalysts Guided by Quantum Simulations

Principal Investigator

Masaya SAWAMURA (Professor, Hokkaido University)

Co-Principal Investigator

Seiji MORI (Professor, Ibaraki University)
Tetsuya TAKETSUGU (Professor, Hokkaido University)

Outline of the Project

Transition metal catalyzed chemical reactions that cause direct transformation of a carbon–hydrogen bond of organic compounds into other chemical bonds, so-called “C–H bond activation”, are expected to be a groundbreaking strategy for streamlining synthetic processes. Unfortunately, however, extreme reaction conditions of C–H bond activation reactions hamper applications of this strategy toward asymmetric synthesis of chiral compounds such as pharmaceuticals, which demands high level of selectivities. Under such a background, this project aims at developing high-performing chiral transition metal catalysts that realize selective transformations of carbon–hydrogen bonds. Our unique strategy for achieving this challenging goal is to take full advantage of cutting-edge quantum mechanical simulations prior to experiments.

 

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