黄酮中间体乙酰酚酯化合物的合成与晶体结构

Synthesis and Crystal Structure of Flavonoid Intermediate Acetylphenol Ester Compound

以4-羟基苯甲酸甲酯、4-羟基-3-甲氧基苯甲酸甲酯和4-羟基-3,5-二甲氧基苯甲酸甲酯为原料,分别与乙酸酐反应,合成了3个4-乙酰氧基苯甲酸甲酯类化合物,其结构通过元素分析和X-射线单晶衍射表征确征。4-乙酰氧基苯甲酸甲酯(2a)属单斜晶系,C2/c空间群,晶胞参数为a=25.400(4)A、b=5.9738(10)A、c=12.746(2)A、V=1928.5(6)A3。3-甲氧基-4-乙酰氧基苯甲酸甲酯(2b)属单斜晶系,P-1P212121空间群,晶胞参数为a=5.5523(7)A、b=12.7610(17)A、c=15.374(2)A、V=1089.3(2)A3。3,5-二甲氧基-4-乙酰氧基苯甲酸甲酯(2c)属单斜晶系,Pbca空间群,晶胞参数为a=18.0207(13)A、b=7.6885(5)A、c=18.2326(13)A、V=2526.2(3)A3。

Three acetphenol ester compounds were obtained through the reaction of acetic acid with methyl 4-hydroxybenzoate,methyl 4-hydroxy-3-methoxybenzoate and methyl 4-hydroxy-3,5-dimethoxybenzoate,respectively.The structure of the three acetphenol ester compounds was characterized by elemental analysis and Xray single crystal diffraction.Methyl 4-acetoxybenzoate(2 a)belongs to monoclinic crystal system,a space group C2/c with a=25.400(4)A,b=5.9738(10)A,c=12.746(2)A,V=1928.5(6)A3.Methyl 3-methoxy-4-acetoxybenzoate(2 b)belongs to the monoclinic crystal system,a space group P-1 P212121 with a=5.5523(7)A,b=12.7610(17)A,c=15.374(2)A,V=1089.3(2)A3.Methyl 3,5-Dimethoxy-4-acetoxybenzoic acid(2 c)belongs to monoclinic crystal system,a space group Pbca with a=18.0207(13)A,b=7.6885(5)A,c=18.2326(13)A,V=2526.2(3)A3.The structures of these synthesized intermediates are all correct.