The fat-soluble isoflavone derivatives: 5-methyl-7-hydroxy-4-methoxyisoflavone (L2) were synthesized and their structures were characterized by IR, UV, 1H NMR, single crystal X-ray diffraction and elemental analysis. The scavenging activities of L2 on superoxide anion free radical and 1,1-diphenyl-2-picrylhy-drazyl free radical (DPPH·) were measured by ultraviolet spectrophotometry. The experiment result shows that, the crystal (C17H14O4) belongs to triclinic space group P1 with unit cell constants a=0.822 55(2) nm, b=0.931 23(2) nm, c=1.045 47(2) nm, α＝89.043(2)°, β＝69.195 0(10)°, γ=66.979 0(10)°, V=0.681 99(3) nm3, Z=2, Dc=1.375 g· cm-3,F(000)=296, R=0.044 4, wR=0.115 6. The compound L2 can scavenge 1,1-diphenyl-2-picrylhy-drazyl free radical (DPPH·) and superoxide anion free radical effectively. CCDC: 821767.%本文合成了5-甲基-7-羟基-4-甲氧基异黄酮,采用IR,UV.1H NMR,和元素分析对其结构进行了表征,并利用X射线单晶衍射仪测定了该化合物的晶体结构.用紫外光谱法研究了它们对超氧阴离子自由基和1,1-二苯基-2-苦肼基自由基(1,1-diphenyl-2-pierylhydrazyl free radical简称DPPH·)的清除活性.实验结果表明5-甲基-7-羟基-4'-甲氧基异黄酮化合物(C17H14O14)属于三斜晶系,空间群为Pi.a=0.82255(2)nm,b=0.931 23(2)tim,c=1.04547(2)nm,a=89.0432(2)°,β=69.1950(10)°,y=66.9790(10)°,Z=2,V=0.681 99(3)am3,De=1.375 g·cm-3,F(000)=296,R1=0.0444,wR2=0.1156,而且该化合物具有较好的清除羟基自由基和超氧自由基的作用.
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