| 苏氨酸氮甲基化及量子化学计算研究 |
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| 引用本文： | 石星丽,路德待.苏氨酸氮甲基化及量子化学计算研究[J].兰州石化职业技术学院学报,2013(2):1-3. |
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| 作者姓名： | 石星丽 路德待 |
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| 作者单位： | [1]兰州石化职业技术学院石油化学工程系,甘肃兰州730060 [2]西北师范大学甘肃省高分子材料重点实验室,甘肃兰州730070 |
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| 摘 要： | 采用还原胺化法将苏氨酸成功转变成了其氮二甲基衍生物,通过1H-NMR和13C-NMR证实了其结构,采用量子化学方法在DFT-B3LYP/6-31G*水平上计算了该化合物的反应热、电荷分布和前线轨道能级。
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| 关 键 词： | 苏氨酸 氮甲基化 还原胺化 量子化学计算 |
Research on N-alkylation and Quantum Chemical Calculation of Threonine |
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| SHI Xing-li,LU De-dai.Research on N-alkylation and Quantum Chemical Calculation of Threonine[J].Journal of Lanzhou Petrochemical Vocational College of Technology,2013(2):1-3. |
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| Authors: | SHI Xing-li LU De-dai |
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| Institution: | 1.Lanzhou Petrochemical College of Vocational Technology,Lanzhou 730060,China;2.Gansu Key Laboratory of Polymer Materials,College of Chemistry and Chemical Engineering Northwest Normal University,Lanzhou 730070,China) |
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| Abstract: | N,N′-dimethyl-threonine is synthesized by reductive amination.The synthesis method is simple and raw materials are cheap and can be easily obtained.The structure of the compound has been characterized by nuclear magnetic resonance 1H and 13C spectra.The DFT-B3LYP methods with 6-31G＊basis set have been applied to the advanced reaction energy,the charges distribution and the linear orbital level of the title compounds. |
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| Keywords: | threonine N-alkylation reductive amination quantum chemical calculation |
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