三(2-苯并咪唑亚甲基)胺的合成及其晶体结构的测定  

The synthesis and measurement of crystal sturcture of the tri (2 - benzimidazylmethyl) amine

作　　者：郭洪声[1] 王敏[2] 王瑾玲[3] 

机构地区：[1]武警医学院化学教研室,天津300162 [2]天津102中学,天津300162 [3]天津师范大学晶体材料研究所,天津300070

出　　处：《武警后勤学院学报（医学版）》1997年第1期23-24,共2页Journal of Logistics University of PAP（Medical Sciences）

摘　　要：目的:为人工模拟合成超氧化物歧化酶(SOD)寻找与人体细胞有相似配位环境的配体。因为SOD能清除人体内的超氧阴离子自由基,而超氧阴离子自由基能加速人体衰老,引发各种炎症及自身免疫性疾病等。为此,SOD自然而然地成为科研人员的重点研究对象。方法:以市售氮三乙酸和邻苯二胺(分析纯)为原料。以有机合成的方法—加热回流制取目标化合物,在经过多次摸索后,最终以二甲亚砜为溶剂得到目标化合物的单晶体,并对其分别进行元素分析和X—射线晶体结构测定。选一大小约0.3x0.3x0.4mm^3的单晶体,以Enraf—NoniusCAD4衍射仪收集衍射数据,共收集有效衍射点1592个,以直接法解析晶体结构。结果:此晶体属单斜晶系,空间群为P21/n.晶胞参数分别为a=9.961A,b=12.308A,c=18.191A,β=91.37°),最终的偏离因子为R=0.063。结论:X—射线晶体结构分析表明,从人体红细胞中提取的Cu—Zn SOD的结构中,Cu^(2O+)分别与组氨酸的三个咪唑氮原子配位,形成四方平面构型。而本文合成的配体中,每个咪唑基团均有一个氮原子可与金属离子配位,恰好能提供与人体细胞相似的配位环境,从而为今后人工模拟合成SOD的研究奠定了理论和实验基础。Objective: AIMS To search the complex whose enviroment is similar to the human - body's cell for synthesizing Superoxide (SOD). and SOD is a kind of enzyme, which can defend organism. Methods: Nitrilotriacetic and o -phenylene diamine were finely ground and heated, and refluxed in methanol. the production was dissolved in DMSO. then the colorless single crystals were obtained. Selecting a single crystal whose dimension is about 0. 3x0. 3x0. 4mm3. put it on Enraf -Nonius CAD4 to get 1592 effectivereflecting datas in total. Using direct method multan82 to solve its crystal structure. Results: The crystallographic data as follows: monoclinic, space group is P21/n, a = 9. 961A. b=12. 308A. c=18. 191A. β=91. 37°. the final discrepancy factor is R = 0. 063. Conclusion: SOD's biological active center is themultinuclear transition metal (such as Cu and Zn) complexes in which the metealions are bridged by imidazole. The structure of the complex tri (2 -benzimidazylmethyl) amine is similar to the envirement of human -body's cell, for this reason, we can use it to synthesize SOD and service for medical.

关 键 词：三(2-苯并咪唑亚甲基)胺 合成 元素分析 晶体结构 

分 类 号：O626[理学—有机化学]