Development of Asymmetric Organic Catalysts Using Accurate and Efficient Conformational Analysis

About this project

Japan Grant Number
JP18H01969
Funding Program
Grants-in-Aid for Scientific Research
Funding organization
Japan Society for the Promotion of Science
Project/Area Number
18H01969
Research Category
Grant-in-Aid for Scientific Research (B)
Allocation Type
  • Single-year Grants
Review Section / Research Field
  • Basic Section 33010:Structural organic chemistry and physical organic chemistry-related
Research Institution
  • Fukuoka Institute of Technology
Project Period (FY)
2018-04-01 〜 2023-03-31
Project Status
Completed
Budget Amount*help
17,160,000 Yen (Direct Cost: 13,200,000 Yen Indirect Cost: 3,960,000 Yen)

Research Abstract

Organocatalysts are ideal catalysts that are free from toxic heavy metal residues and can address the issues of rising rare metal prices and depletion. In this study, we have developed a variety of conformational analysis methods to elucidate the causes of enantioselectivity of organocatalysts. We used our own ConFinder program to perform fast and accurate conformational analysis. This program allows us to elucidate the specific conformations responsible for the high selectivity, providing hints for the analysis of reaction mechanisms and the design of catalysts. In collaboration with an experimental group developing organocatalysts, we conducted research on asymmetric hydrolysis reactions of esters.

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