核磁共振在确定链状化合物相对构型中的应用  

Applications of NMR technique in determining relative configurations of chiral compounds with chain structure

作　　者：邵思远 杨桠楠[1] 张培成[1] 

机构地区：[1]天然药物活性物质与功能国家重点实验室,中国医学科学院北京协和医学院药物研究所,北京100050

出　　处：《国际药学研究杂志》2015年第6期699-705,共7页Journal of International Pharmaceutical Research

基　　金：国家自然科学基金资助项目(81274066)

摘　　要：随着核磁共振技术的发展,核磁共振光谱广泛用于有机化合物的结构分析和确定。本文综述了运用核磁共振技术确定链状化合物的相对构型的新方法,主要是借助于偶合常数、氢核磁共振技术和碳核磁共振技术进行复杂有机化合物的相对构型的确定,包括运用系统偶合常数大小来确定含1,2-二次甲基,1,3-二次甲基片段和γ-氨基-β-羟基-α-亚甲基羧酸衍生物的相对构型,运用氢化学位移变化确定1,3-二醇类、α-烷基-β-羟基片段的酮类化合物和具有1,3,n-多甲基取代碳链化合物的相对构型,以及运用碳化学位移确定1,3-二醇类化合物的相对构型。Nowadays,the NMR technique is widely used to determine the structures of chiral compounds. This paper summarizes some new methods which have been applied to determine the relative configurations of compounds with chain structure.The NMR spectra can provide coupling constants, chemical shifts of 1H and 13 C which are favorable for assigning relative configurations of complicated compounds. Specifically,systematical coupling constants can determine the relative configurations of structures that contain 1,2-dimethines,1,3-dimethines and γ-amino-β-hydroxyl-α-methylene carboxylate moiety. Chemical shifts of proton signal can assign the relative configurations of compounds which possess 1,3-diols,α-alkyl-β-hydroxyl alkone and 1,3,nmethyl-branched carbon. Chemical shifts of carbon signal can ascertain 1,3-diols′ relative configurations.

关 键 词：核磁共振 相对构型 偶合常数 化学位移 

分 类 号：O621.1[理学—有机化学]