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2-{[2,6-二氯-4-(氰甲基)苯基]氨基}苯甲酸乙酯的合成及晶体结构

Synthesis and crystal structure of ethyl 2-((2,6-dichloro-4-(cyanomethyl)phenyl)amino)benzoate
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摘要 2-{[4-(溴甲基)-2,6-二氯苯基]氨基}苯甲酸乙酯(化合物1)与氰化钾发生氰化反应得到甲氯芬那酸衍生物——2-{[2,6-二氯-4-(氰甲基)苯基]氨基}苯甲酸乙酯(化合物2)。考察了物料比、反应溶剂和反应温度对化合物2的影响,并采用XRD单晶衍射对化合物2进行了表征。结果发现,当物料比为n(氰化钾)∶n(化合物1)=2.0∶1,乙腈为反应溶剂,在60℃反应4h的条件下,产物化合物2的收率达到77.1%(以化合物1计)。 The target compound ethyl 2-((2,6-dichloro-4-(cyanomethyl)phenyl)amino)benzoate(compound 2) was synthesized by cyanide reaction of ethyl 2-((4-(bromomethyl)-2,6-dichlorophenyl)amino)benzoate(compound 1) with potassium cyanide.The effects of material ratio, reaction solvent and reaction temperature on compound 2 were investigated, and the compound 2 was characterized by XRD single crystal diffraction.The results showed that the yield was 77.1%(calculated as compound 1) when the ratio of n(potassium cyanide)∶n(compound 1) was 2.0∶1,acetonitrile was used as the reaction solvent and the reaction time was 4h at 60℃.
作者 赵梅梅 杜漠 王一寓 唐文强 ZHAO Mei-mei;DU Mo;WANG Yi-yu;TANG Wen-qiang(Higher Vocational College,Shaanxi Institute of International Trade&Commerce,Xianyang 712046,China;Xianyang Key Laboratory of Molecular Imaging and Drug Synthesis,Xianyang 712046,China)
出处 《精细与专用化学品》 CAS 2024年第7期45-47,55,共4页 Fine and Specialty Chemicals
基金 陕西国际商贸学院“中药药效物质研究”创新团队资助项目(SSY18TD02)。
关键词 甲氯芬那酸衍生物 氰化反应 条件优化 单晶衍射 meclofenamic acid derivatives cyanide reaction condition optimization single crystal diffraction
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