兰州石化职业技术学院学报
蘭州石化職業技術學院學報
란주석화직업기술학원학보
JOURNAL OF LANZHOU PETROCHEMICAL VOCATIONAL COLLEGE OF TECHNOLOGY
2013年
2期
1-3
,共3页
苏氨酸%氮甲基化%还原胺化%量子化学计算
囌氨痠%氮甲基化%還原胺化%量子化學計算
소안산%담갑기화%환원알화%양자화학계산
threonine%N-alkylation%reductive amination%quantum chemical calculation
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1 H－NMR和13 C－NMR证实了其结构，采用量子化学方法在DFT－B3 LYP/6－31G倡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。
採用還原胺化法將囌氨痠成功轉變成瞭其氮二甲基衍生物，通過1 H－NMR和13 C－NMR證實瞭其結構，採用量子化學方法在DFT－B3 LYP/6－31G倡水平上計算瞭該化閤物的反應熱、電荷分佈和前線軌道能級。
채용환원알화법장소안산성공전변성료기담이갑기연생물，통과1 H－NMR화13 C－NMR증실료기결구，채용양자화학방법재DFT－B3 LYP/6－31G창수평상계산료해화합물적반응열、전하분포화전선궤도능급。
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 nu-clear magnetic resonance 1 H and 13 C spectra.The DFT-B3 LYP 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 .
