奥拉西坦的核磁共振波谱特征与构象研究(英文)  

NMR Characteristics and Conformational Analysis of Oxiracetam

作　　者：朱传钧[1,2] 金晓锋 姜标[1] 崔育新[4] 

机构地区：[1]中国科学院上海有机化学研究所,上海200032 [2]上海精细化工火炬创新创业园分析中心,上海201512 [3]常州制药厂有限公司,江苏常州213018 [4]天然药物及仿生药物国家重点实验室(北京大学),北京100191

出　　处：《波谱学杂志》2010年第4期609-616,共8页Chinese Journal of Magnetic Resonance

摘　　要：奥拉西坦是一种改善脑功能药物.该文研究了该药的核磁共振波谱特征和构象.吡咯环的各项异性效应使侧链亚甲基的质子的磁不等价.由于吡咯环内酰胺键的部分双键性质,观测到了远程耦合现象.信封式构象为吡咯环的优势构象.同时研究了环外侧链上的酰胺键的受阻旋转.Oxiracetam is often used as a nootropic agent.In this study,the NMR characteristics and conformation of oxiracetam were investigated.It was shown that the protons on the side-chain methylene group are magnetic nonequivalent because of the anisotropy effect of pyrrolidine ring.H6 and H3 showed long-range coupling,due to the partial double-bond character of the amide bond on the pyrrolidine ring.Pyrrolidine ring favored envelope conformation.Hindered internal rotation of another amide bond on the side chain was also analyzed.

关 键 词：核磁共振(NMR) 构象 二维核磁共振 变温核磁共振 奥拉西坦 远程耦合 

分 类 号：O641[理学—物理化学]