| 有机药物化学中不对称合成手性产率及其随温度变化规律的研究 |
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| 引用本文： | 胡文祥,崔淑华,袁承业,恽榴红.有机药物化学中不对称合成手性产率及其随温度变化规律的研究[J].中国药物化学杂志,1993(2). |
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| 作者姓名： | 胡文祥 崔淑华 袁承业 恽榴红 |
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| 作者单位： | 军事医学科学院毒物药物研究所，中国科学院上海有机化学研究所，中国科学院上海有机化学研究所，军事医学科学院毒物药物研究所 北京 100850，北京 100850 |
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| 摘 要： | 本文首次用分子力学计算产物或过渡态分子内张力能来估算热力学或动力学,控制不对称合成反应生成的立体异构体的相对比例,并从热力学上推导了这一比例随温度变化公式,而且从实验上得到证明,在有机或药物化学最富有挑战性的领域——不对称合成中具有重要的理论和实际意义。
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| 关 键 词： | 不对称合成 立体异构体 抗胆碱能化合物 α-氨基膦酸 热力学 分子力学 |
STUDIES ON ASYMMETRICALLY SYNTHETIC CHIRAL YIELDS AND THE LAW OF THEIR CHANGING WITH TEMPERATURES IN ORGANIC OR MEDICINAL CHEMISTRY |
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| Hu Wenxiang Cui Shuhua Yuan Chengye Yun Liuhong.STUDIES ON ASYMMETRICALLY SYNTHETIC CHIRAL YIELDS AND THE LAW OF THEIR CHANGING WITH TEMPERATURES IN ORGANIC OR MEDICINAL CHEMISTRY[J].Chinese Journal of Medicinal Chemistry,1993(2). |
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| Authors: | Hu Wenxiang Cui Shuhua Yuan Chengye Yun Liuhong |
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| Abstract: | The asymmetrically synthetic chiral yields were first estimated by intramolecular steric energy of products (in the reaction controlled by thermodynamics or Hammand approach) or transition states (in the reaction controlled by kinetics) calculated by molecular mechanics. The relationship between the ration of steric isomerides and temperatures was established by thermodynamics and tested by synthetic experiments. The above-mentioned methods are very important to the synthetic design of an asymmetric molecule in organic or medicinal chemistry. |
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