The effect of conformational equilibrium on the enantioselectivity of catalysts: a quantitative relationship for the evaluation,design, and prediction of chiral ligands in the addition of diethylzinc to benzaldehydes |
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| Affiliation: | 1. GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, UK;2. University of Nottingham School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, UK;1. Future Convergence Research Division, Korea Institute of Science and Technology, PO Box 131,Cheongryang, Seoul 130-650, Republic of Korea;2. Department of Chemistry, Sogang University, Seoul 121-742, Republic of Korea;3. KU-KIST Graduate School of Converging Science and Technology, 145, Anam-ro, Seongbuk-gu, Seoul 136-713, Republic of Korea |
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| Abstract: | A kinetic system correlating the enantioselectivity with a catalyst’s conformational equilibrium, as a theoretical basis for the evaluation, design, and prediction of chiral ligand, is described for the addition of diethylzinc to benzaldehyde, and more importantly, a quantitative relationship between the conformations and the enantioselectivity is derived from this catalytic asymmetric kinetic system, which interprets that the observed enantioselectivity is not a weighted average of the enantioselectivity of the individual conformers. |
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