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

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。

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

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, 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. On the basis of spectral analysis, the structure of by-product was identified.