N-(6-甲基-2-苯并噻唑基)-α-氨基膦酸二乙酯的~1H NMR研究  

THE STUDY ON ~1H NMR OF N-(6-METHYL-2-BENZOTHIAZOLYL)-α-AMINOALKYLPHOSPHONIC ACID DIETHYL ESTERS

作　　者：李在国[1] 黄润秋[1] 汪清民[1] 邵瑞链[1] 

机构地区：[1]南开大学元素有机化学研究所

出　　处：《波谱学杂志》1999年第5期423-428,共6页Chinese Journal of Magnetic Resonance

基　　金：国家自然科学基金;天津市自然科学基金

摘　　要：报道了Ｎ（６甲基２苯并噻唑基）α氨基膦酸二乙酯类化合物的１Ｈ ＮＭＲ 数据，研究了α位苯环上取代基对αＣＨ 的化学位移的影响．根据单晶结构确定了膦酸二乙酯的两个乙氧基的核磁不等价现象是由α位苯环的屏蔽作用造成的．研究了α位苯环上取代基对α位苯环的屏蔽作用的影响。The \{\}\+1H NMR data of N (6 methyl 2 benzothiazolyl) α aminoalkylphosphonic acid diethyl esters are reported, and the substituent effects of α benzene ring on chemical shifts of α CH are studied. The crystal structure of one of the title compounds is determined by X ray diffraction. The two ethoxys of the phosphonates are magnetically nonequivalent, which is caused by the different shielding effects of α benzene on the two ethoxy groups. The substituent effects of α benzene on the shielding effect of α benzene is studied, and the configurational superposition of different molecules is made to elucidate the effect of orthosubstituent on the shielding effect of α benzene. \;

关 键 词：NMR X-衍射 氨基膦酸二乙酯 构象优化 

分 类 号：O627.51[理学—有机化学]