研究论文

螺[吲哚-3,3'-吡咯嗪]-2-酮骨架构建及结构表征

  • 徐琳琳 ,
  • 朱晓彤 ,
  • 张金鹏
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  • 徐州医科大学公共卫生学院, 徐州 221004
徐琳琳,中级实验师,研究方向为抗肿瘤药物活性,电子信箱:xulinlin16@163.com

收稿日期: 2016-08-18

  修回日期: 2017-09-04

  网络出版日期: 2017-12-16

基金资助

徐州市科技发展计划项目(XM13B067);徐州医学院振兴计划项目;徐州医学院课题(2014KJ03)

Construction and characterization of spiro[indoline-3,3'-pyrrolizin]-2-one skeleton

  • XU Linlin ,
  • ZHU Xiaotong ,
  • ZHANG Jinpeng
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  • School of Public Health, Xuzhou Medical University, Xuzhou 221004, China

Received date: 2016-08-18

  Revised date: 2017-09-04

  Online published: 2017-12-16

摘要

以查尔酮、5-甲基靛红和脯氨酸为原料,微量的甲醇作溶剂,多组分一步合成得到螺[吲哚-3,3'-吡咯嗪]-2-酮化合物C27H24ClN3O2。其结构通过单晶X射线衍射法确定,晶体属单斜晶系,空间群P2(1)/c,分子量Mr=504.01,晶胞参数a=0.84907(6)nm,b=1.07072(9)nm,c=2.9121(4)nm,V=2.6415(5)nm3Z=4,晶胞密度Dc=1.267 mg/m3,吸收系数μ=0.180 mm-1,单胞中电子的数目F(000)=1064。晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.0657,ωR=0.1376。在晶体结构中新形成的四氢吡咯环为信封式构象。

本文引用格式

徐琳琳 , 朱晓彤 , 张金鹏 . 螺[吲哚-3,3'-吡咯嗪]-2-酮骨架构建及结构表征[J]. 科技导报, 2017 , 35(23) : 58 -61 . DOI: 10.3981/j.issn.1000-7857.2017.23.009

Abstract

The title compound spiro[indoline-3,3'-pyrrolizin]-2-one C27H24ClN3O2 is synthesized by the one-pot multicomponent reaction of chalcone, 5-methylisatin and proline in trace amounts of methanol under stirring at 60℃. Its structure is determined by single crystal X-ray diffraction. The crystal is monoclinic, space group P2(1)/c, with Mr=504.01, a=0.84907(6) nm, b=1.07072(9) nm, c=2.9121(4) nm, V=2.6415 (5) nm3, Z=4, Dc=1.267 mg/m3, μ=0.180 mm-1, and F(000)=1064. The structure is solved by direct methods and refined by full-matrix least squares method to the final R=0.0657 and ωR=0.1376. X-ray analysis reveals that the newly formed ring of tetrahydropyrrole in the crystal structure is of envelope conformation.

参考文献

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