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

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

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 0 9( 10 )nm ,b =1 43 ( 10 )nm ,c =1 2 0 ( 8)nm ,V =1 868nm3 ,Z =4,Dc=1 3 2Mg/m3 ,F( 0 0 0 ) =784.并用波谱法对分离得到的副产物进行了结构表征 .

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, 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.