非布司他的波谱学数据与结构确证Spectral Analysis and Structure Confirmation of Febuxostat
陈家润,张廷剑,薛刚,王绍杰
CHEN Jiarun,ZHANG Tingjian,XUE Gang,WANG Shaojie
摘要(Abstract)：
目的通过波谱学对2-(3-氰基-4-异丁氧基苯基)-4-甲基-5-噻唑甲酸(非布司他)的结构进行确证。方法通过元素分析测定了化合物的元素组成,通过测定核磁共振谱(包括1H-NMR谱、13C-NMR谱、DEPT谱、HSQC谱和HMBC谱)、质谱(MS)、紫外(UV)、红外(IR)、热差分析(DSC)和X-射线粉末衍射,确证了非布司他的化学结构。结果对该化合物的1HNMR、13C-NMR谱信号进行了归属;讨论了红外和紫外特征吸收峰所对应的官能团的振动形式。结论确证了2-(3-氰基-4-异丁氧基苯基)-4-甲基-5-噻唑甲酸(非布司他)的结构,对其质量控制具有重要的参考价值。
OBJECTIVE To confirm the chemical structure of 2-( 3-cyano-4-isobutyloxyphenyl)-4-methyl-5-thiazolecarboxylic acid( Febuxostat). METHODS The elemental analysis instrument was adopted to analyze the elementary composition of this compound,and the nuclear magnetic resonance( including 1H-NMR,13C-NMR,DEPT-135,HSQC and HMBC),mass spectra( MS),ultraviolet spectra( UV),infrared spectra( IR),differential scanning calorimetry( DSC) and X-ray powder diffraction were adopted to analyze its chemical structure. RESULTS The 1H-NMR and 13C-NMR signals were assigned and the types of vibration of the functional groups were discussed based on the infrared spectrum and ultraviolet spectra. CONCLUSION The experiment verified that the chemical structure of this compound is 2-( 3-cyano-4-isobutyloxyphenyl)-4-methyl-5-thiazolecarboxylic acid( Febuxostat).
关键词(KeyWords)：
非布司他;核磁共振波谱;红外光谱;紫外光谱;结构确证
Febuxostat;nuclear magnetic resonance;infrared spectra;ultraviolet spectra;structure confirmation
基金项目(Foundation):
作者(Author):
陈家润,张廷剑,薛刚,王绍杰
CHEN Jiarun,ZHANG Tingjian,XUE Gang,WANG Shaojie
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