高等学校化学学报

高等学校化学学报 ›› 1993, Vol. 14 ›› Issue (10): 1394.

• 研究论文 • 上一篇    下一篇

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

陈茹玉1, 陈小茹1, 王如骥2, 王宏根2   

  1. 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
  • 收稿日期:1993-01-07 修回日期:1993-05-31 出版日期:1993-10-24 发布日期:1993-10-24
  • 通讯作者: 陈茹玉, 女, 73岁, 博士生导师, 学部委员.
  • 作者简介:陈茹玉, 女, 73岁, 博士生导师, 学部委员.
  • 基金资助:

    国家自然科学基金

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

CHEN Ru-Yu1, CHEN Xiao-Ru1, WANG Ru-Ji2, WANG Hong-Gen2   

  1. 1. Institute of Elemento-Organic Chemistry, Nankai University, Tianjin, 300071;
    2. Central Laboratory, Nankai University, Tianjin, 300071
  • Received:1993-01-07 Revised:1993-05-31 Online:1993-10-24 Published:1993-10-24

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被引次数

3

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P21,a=1.3474(5)nm,b=1.0624(4)nm,c=1.6916(5)nm,β=110.55(3)°,z=4,Dx=1.35g/cm3.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.

关键词: 半乳吡喃糖基, 磷酰二胺酯, 晶体结构

Abstract: To study the antitumor activity of galactopyranosyl phosphoramidate, the title compound was synthesized by phosphorus oxychloride as phosphorylating agent.Apure 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.Atotal 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.

Key words: Galactopyranosyl, Phosphordiamidate, Crystal structure

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