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有机化学 ›› 2003, Vol. 23 ›› Issue (10): 1107-1110. 上一篇    下一篇

研究论文

1-(3,4-二甲氧基）苯乙基-3-环氧丙基-5-氰基-6-甲基脲嘧啶的合成及晶体结构

张俊琪;王礼琛   

  1. 中国药科大学有机化学教研室
  • 发布日期:2003-10-25

Synthesis and Molecular Structure of 1-(3,4-Dimethoxy)-phenethyl-3- 3epoxypropyl-5-cyano-6-methyluracil

Zhang Junqi;Wang Lichen   

  1. Deparment of organic Chemistry, China Pharmaceutical University
  • Published:2003-10-25

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标题化合物1-（3，4-二甲氧基）苯乙基-3-环氧丙基-5-氰基-6-甲基脲嘧啶是 由1-（3，4-二甲氧基）苯乙基-5-氰基-6-甲基脲嘧啶在NaOH水溶液中与环氧氯丙 烷反应制得。结构通过单晶X射线衍射分析确定，其晶体属于单斜晶系，空间群 P2_1/a, 晶胞参数：a = 1.09(10) nm, b = 1.43(10) nm, c = 1.20(8) nm, V = 1.868 nm~3，Z = 4, D_c = 1.32 Mg/m~3, F(000) = 784。并用波谱法对分离得 到的副产物进行了结构表征。

关键词: 尿嘧啶 P, 环氧氯丙烷, 晶体结构, X射线衍射分析, 结构表征

The title compound 1-(3,4-dimethoxy)phenethyl-3-epoxypropyl-5-cyano- 6-methyluracil has been synthesized by the reaction of 1-(3,4-dimethoxy) phenethyl-5-cyano-6-methyluracil in NaOH solution with 1-chloro-2,3- epoxypropane and its structure was determined by single-crystal X-ray diffraction study. The crystal is monoclinic system, space group P2_1/a with a = 1.09(10) nm, 6 = 1.43(10) nm, c = 1.20(8) nm, 7=1.868 nm~3, Z = 4, D_c= 1.32 Mg/m~3, F(000) = 784. On the basis of spectral analysis, the structure of by-product was identified.

Key words: URACIL P, EPOXYCHLOROPROPANE, CRYSTAL STRUCTURE, XRD, STRUCTURE CHARACTERISTICS

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