N'-芳亚甲基-5-(1-羟基-1-甲基乙基)-2-丙基-1H-咪唑-4-酰肼类化合物的合成及晶体结构研究

Synthesis and crystal structure of N'-arylidene 5-(1-hydroxypropan-1-yl)-2-propyl-1H-imidazole-4-carbohydrazide derivatives

改进文献工艺方便高效的合成5-(1-羟基-1-甲基乙基)-2-丙基-1H-咪唑-4-羧酸乙酯,并进一步通过肼化、腙化合成N'-芳亚甲基-5-(1-羟基1-甲基乙基)-2-丙基-1H-咪唑-4-酰肼类化合物,通过元素分析,~1H NMR,^(13)C NMR、IR和MS表征此类化合物的结构;化合物N'-苯亚甲基-5-(1-羟基-1-甲基乙基)-2-丙基-1H-咪唑-5-酰肼通过X-射线单晶衍射表明属于单斜晶系,空间群为P2_1/c,晶胞参数为:a=9.650(2),b=16.172(4),c=10.600(3),α=β=γ=90°,V=1654.3(7)~3,Z=4,Dc=1.262 Mg/m^3,μ=0.085 mm^(-1),F(000)=672。在化合物的分子结构中,主要呈现E式的立体构型。

A convenient and effective method was developed to synthesize 5-（ 1-hydroxypropan-1-yl）-2-propyl-1H-imidazole-4-carbohydrazide. On this basis,some N＇-arylidene 5-（ 1-hydroxypropan-1-yl）-2-propyl-1H-imidazole-4-carbohydrazide were synthesized and characterized by EA,~1H NMR,^（13） C NMR,IR and MS. The compound N＇-benzylidene 5-（ 1-hydroxypropan-1-yl）-2-propyl-1Himidazole-4-carbohydrazide was further characterized by X-ray diffraction. The results showed that the compound belonged to monoclinic system with P21/ c space group and cell parameter： a = 9. 650（ 2） ,b = 16. 172（ 4） ,c = 10. 600（ 3） ,α = β = γ = 90°,V =1654. 3（ 7）~3,Z= 4,Dc= 1. 262 Mg/m^3,μ= 0. 085 mm^（-1）,F（ 000） = 672. The E-isomer of the compound was predominant according to the crystallographic data.