Prediction of Suitable Catalyst by NMR

Research Project

Project/Area Number	16K13997
Research Category	Grant-in-Aid for Challenging Exploratory Research
Allocation Type	Multi-year Fund
Research Field	Synthetic chemistry
Research Institution	Gakushuin University
Principal Investigator	AKIYAMA TAKAHIKO 学習院大学, 理学部, 教授 (60202553)
Project Period (FY)	2016-04-01 – 2019-03-31
Project Status	Completed (Fiscal Year 2018)
Budget Amount *help	¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000) Fiscal Year 2017: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000) Fiscal Year 2016: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords	不斉触媒 / キラルリン酸 / 有機合成化学 / 有機分子触媒 / 不斉合成 / NMR / 触媒最適化 / 選択的合成 / 触媒 / 分析
Outline of Final Research Achievements	We found that chiral phosphoric acid derived from (R)-BINOL functioned as chiral Bronsted acid for a range of reactions. We investigated the relationship between NMR spectra of the complex derived from chiral phosphoric acid and substrates with enantioselectivity in order to streamline identifying the catalyst of choice. We could not obtain the relationship we had expected.
Academic Significance and Societal Importance of the Research Achievements	不斉触媒の開発において，最適な触媒を見出すために，試行錯誤的に極めて多くの実験を行う必要がある。触媒と基質の1H NMRと不斉収率との間の相関関係を明らかにすることを目指した本研究課題が予期した通り進行すれば，触媒の構造，置換基効果については，より簡便な方法で，最適触媒が見出される可能性があり，本手法は大学および企業の研究開発においても役立つ可能性があると考えられる。