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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
【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αCH 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,并利用构象重叠方法解释了邻位取代基对屏蔽作用的影响
【Abstract】 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. \;
【Key words】 ~1H NMR; X ray diffraction; α aminoalkylphosphonic acid diethyl ester; Optimum configuration;
- 【文献出处】 波谱学杂志 ,CHINESE JOURNAL OF MAGNETIC RESONANCE , 编辑部邮箱 ,1999年05期
- 【分类号】TQ450.7
- 【下载频次】60