2,3,4,4'-四羟基脱氧安息香的合成、晶体结构表征及性质研究  

Synthesis,Crystal Structure and Study on Properties of 2,3,4,4'-Tetrahydroxydeoxybenzoin

作　　者：延玺[1] 吴福丽[1] 郑泽宝[1] 

机构地区：[1]北京师范大学化学系,北京100875

出　　处：《化学学报》2005年第4期332-336,共5页Acta Chimica Sinica

基　　金：国家自然科学基金(No.20271008);北京市重点学科基金资助项目.

摘　　要：合成了2,3,4,4'-四羟基脱氧安息香(THDB),采用IR,UV,HNMR,MS和元素分析对其结构进行了表征,并采用1X射线单晶衍射仪测定了该化合物的晶体结构,利用荧光法检测了化合物对羟基自由基的清除作用.实验结果表明,晶体[C14H12O5?2H2O]属于单斜晶系,空间群C2/c,a=1.4346(5)nm,b=1.3378(5)nm,c=1.5709(5)nm,α=90°,β=110.823(6)°,γ=90°,V=2.8181(16)nm3,Z=8,Dc=1.397g/cm3,μ=0.113mm-1,F(000)=1248,R=0.0528,wR=0.1307;THDB具有较好的清除羟基自由基的作用.2,3,4,4'-Tetrahydroxydeoxybenzoin (THDB) was synthesized and characterized by IR, UV, H-1 NMR, MS and elemental analysis. Single crystals of THDB were determined by X-ray single crystal diffraction. The scavenging effect of THDB on hydroxy radical was detected by fluorescent spectrophotometry. The experimental results show that the crystal (C14H12O5.2H(2)O) belongs to monoclinic space group C2/c with unit cell constants a = 1.4346(5) nm, b = 1.3378(5) run, c = 1.5709(5) run, alpha = 90degrees, beta = 110.823(6)degrees, gamma = 90degrees, V = 2.8181(16) nm(3), Z = 8, D-c = 1.397 g/cm(3), mu = 0.113 mm(-1), F(000) = 1248, R = 0.0528, wR = 0.1307. The compound THDB can scavenge hydroxy radical effectively.

关 键 词：X射线单晶衍射 安息香 晶体结构 单斜晶系 空间群 表征 元素分析 MS 清除作用 IR 

分 类 号：O621[理学—有机化学]