| 3-氟-6-碘吡嗪-2-羧酸甲酯的合成及晶体结构 |
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| 引用本文： | 曹小江,周志旭,赵春深,朱静,李天祥.3-氟-6-碘吡嗪-2-羧酸甲酯的合成及晶体结构[J].合成化学,2020,28(6):543-547. |
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| 作者姓名： | 曹小江 周志旭 赵春深 朱静 李天祥 |
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| 作者单位： | 1. 贵州大学 a. 化学与化工学院; b. 药学院，贵州 贵阳 550025 |
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| 基金项目： | 贵州省科技计划;国家自然科学基金 |
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| 摘 要： | 以3-氨基吡嗪-2-羧酸为原料,经酯化反应、亲电反应和重氮化反应合成了3-氟-6-碘吡嗪-2-羧酸甲酯(1),总收率62.34%,其结构经1H NMR、13C NMR和MS确证,用X-单晶衍射法测定了化合物的晶体结构。结果表明:1(CCDC:1986368)属单斜晶系,空间群C2/c,晶胞参数a=17.6566(5)A,b=4.74850(10)A,c=19.6368(6)A,β=95.6540(10)°,V=1638.39(8)A3,Z=8,Rgt(F)=0.0173,wRref(F2)=0.0465,F(000)=1056,μ=3.885 mm-1。
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| 关 键 词： | 3-氨基吡嗪-2-羧酸 3-氟-6-碘吡嗪-2-羧酸甲酯 合成 晶体结构 酯化 重氮化 |
| 收稿时间： | 2020-03-03 |
Synthesis and Crystal Structure of
3-Fluoro-6-iodopyrazine-2-carboxylic Acid Methyl Ester |
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| CAO Xiao-jiang,ZHOU Zhi-xu,ZHAO Chun-shen,ZHU Jing,LI Tian-xiang.Synthesis and Crystal Structure of
3-Fluoro-6-iodopyrazine-2-carboxylic Acid Methyl Ester[J].Chinese Journal of Synthetic Chemistry,2020,28(6):543-547. |
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| Authors: | CAO Xiao-jiang ZHOU Zhi-xu ZHAO Chun-shen ZHU Jing LI Tian-xiang |
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| Institution: | a. College of Chemistry and Chemical Engineering; b. School of Pharmaceutical Sciences, 1. Guizhou University Guiyang 550025, China |
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| Abstract: | 3-Fluoro-6-iodopyrazine-2-carboxylic acid methyl ester was obtained through esterification reaction,electrophilic reaction and diazotization reaction from 3-aminopyrazine-2-carboxylic acid.The total yield was 62.34%.The structure was confirmed by 1H NMR,13C NMR and MS,and the molecular structure was determined by X-single crystal diffraction.The results show that the title compound(CCDC:1986368)belongs to monoclinic system,space group C2/c,unit cell parameters a=17.6566(5)A,b=4.74850(10)A,c=19.6368(6)A,β=95.6540(10)°,V=1638.39(8)A3,Z=8,Rgt(F)=0.0173,wRref(F2)=0.0465,F(000)=1056,μ=3.885 mm-1. |
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| Keywords: | 3-aminopyrazine-2-carboxylic acid 3-fluoro-6-iodopyrazine-2-carboxylic acid methyl ester synthesis crystal structure esterification diazotization |
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