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6-硝基-7-二异丙基香豆素磷酸酯的结构确定
引用本文:陈晓岚,徐少华,屈凌波,袁金伟,李锡勇,王俊亮,李会娜.6-硝基-7-二异丙基香豆素磷酸酯的结构确定[J].波谱学杂志,2010,27(4):635-641.
作者姓名:陈晓岚  徐少华  屈凌波  袁金伟  李锡勇  王俊亮  李会娜
作者单位:郑州大学,化学系,河南省化学生物学与有机化学重点实验室,河南,郑州,450052;郑州大学,化学系,河南省化学生物学与有机化学重点实验室,河南,郑州,450052;河南工业大学,化学化工学院,河南,郑州,450051;河南工业大学,化学化工学院,河南,郑州,450051
基金项目:国家自然科学基金,河南省科技创新杰出人才计划资助项目
摘    要:以7-羟基香豆素为原料,与硝酸在乙醇中反应得到了其硝化产物,发现硝化后的香豆素不能通过传统的Atherton-Todd反应实现磷酰化,通过改进反应条件即加入少量碳酸钾,顺利得到其相应的磷酰化产物.利用核磁共振(NMR)技术,确认得到的磷酰化产物是6-硝基-7-二异丙基香豆素磷酸酯.通过2D NMR对目标化合物的1H和13C NMR数据进行了全归属和较详细的解析,其结构进一步被X-ray晶体结构所证实.

关 键 词:核磁共振(NMR)  归属  2D  NMR  X-ray  6-硝基-7-二异丙基香豆素磷酸酯
收稿时间:2009-11-06

Spectroscopic Characterization of 6-Nitryl-7-diisopropyl Coumarin Phosphate
CHEN Xiao-lan,XU Shao-hua,QU Ling-bo,YUAN Jin-wei,LI Xi-yong,WANG Jun-liang,LI Hui-na.Spectroscopic Characterization of 6-Nitryl-7-diisopropyl Coumarin Phosphate[J].Chinese Journal of Magnetic Resonance,2010,27(4):635-641.
Authors:CHEN Xiao-lan  XU Shao-hua  QU Ling-bo  YUAN Jin-wei  LI Xi-yong  WANG Jun-liang  LI Hui-na
Institution:1. Key Laboratory of Chemical Biology and Organic Chemistry, Department of Chemistry, Zhengzhou University, Zhengzhou 450052, China;; 2. School of Chemistry & Chemical Engineering, Henan University of Technology, Zhengzhou 450001, China
Abstract:In this study, 7-hydroxycoumarin was nitrified using nitric acid in ethanol solvent to obtain 6-nitro-7-hydroxycoumarin. Phosphorylation of 6 nitro-7-hydroxycoumarin, however, could not be realized using the traditional Atheron-Todd reaction. By adding a little potassium carbonate into the reaction vessel, the phosphorylation reaction occurred successfully. Complete assignment of the 1H and 13C NMR chemical shifts of phosphorylated 6-nitro-7-hydroxycoumarin was achieved with 2D NMR techniques, including DEPT, 1H-1H COSY, HSQC and HMBC. The structure of the compound was also elucidated by X-ray crystallography.
Keywords:NMR  assignment  2D NMR  X-ray crystallography  6-nitryl-7-diisopropyl coumarin phosphate  
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