O-半乳吡喃糖基N,N-二(2-氯乙基)磷酰二胺酯的合成及其晶体结构  

Synthesis and Crystal Structure of O-Galactopyranosyl N,N-Bis(2-chloroethyl)phosphordiamidate

作　　者：陈茹玉[1] 陈小茹[1] 王如骥[2] 王宏根[2] 

机构地区：[1]南开大学元素有机化学研究所,天津300071 [2]南开大学中心实验室

出　　处：《高等学校化学学报》1993年第10期1394-1398,共5页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金

摘　　要：为探讨糖基磷酰胺酯类化合物的抗肿瘤活性,用三氯氧磷作磷酰化试剂,合成了标题化合物.通过重结晶,分离出标题化合物的一个纯异构体.经X射线衍射单晶结构分析,该晶体属单斜晶系,空间群P2_1,a=1.3474(5)nm,b=1.0624(4)nm,c=1.6916(5)nm,β=110.55(3)°,z=4,D_x=1.35g/cm^3.收集到独立衍射点4379个,其中2159个为可观测点.最终一致性因子R=0.079.结构分析结果表明,反应中形成的手性磷原子为R构型.To study the antitumor activity of galactopyranosyl phosphoramidate, the title compound was synthesized by phosphorus oxychloride as phosphorylating agent. A pure isomer of the title compound was obtained by recrystallization from a mixture of chloroform and n-hexane, and its single crystal was cultured. The molecular structure of the title compound was determined by X-ray diffraction method. The crystal is monoclinic with space group P21, a=1. 3474(5) nm, 6=1.0624(4) nm, c=1. 6916(5) nm, β=110.55(3)°, V=2. 2674 nm3, Mr = 463. 29, Z = 4, Dx=1. 35 g/cm3, μ=3.9 cm-1, F(000) = 972. A total of 4379 independent reflections were collected, in which 2159 were observed. The final R = 0. 079 and Rw = 0. 088. The results of structure analysis indicate that the configuration of the chiral phosphorus atom of the title compound is assigned as R-form.

关 键 词：半乳吡喃糖基 磷酰二胺酯 晶体结构 

分 类 号：O627.51[理学—有机化学]