| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2019: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2018: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2017: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Outline of Final Research Achievements |
A new solvent effect calculation program was developed to parameterize the polarity and steric effects of solvents, and its validity was verified. The regioselective tricyanovinylation of pyrroles and the diastereoselective hydride reduction of ketones having a chiral center at the α-position were taken up as examples of reactions in which the difference in solvent species significantly affects the reaction selectivity, and were analyzed both experimentally and by molecular orbital calculations. In both reactions, a significant change in selectivity reversal and reaction rate was observed depending on the solvent species. The solvent effect calculation program developed in this study was applied to these reactions, and it was found that the steric effects of solvent molecules interacting with substrates and reagents are likely to affect the reactivity and selectivity of the reactions.
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