高等学校化学学报

高等学校化学学报

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微波法合成2,2'-二苯-1,4-苯并噁嗪-3(4H)-酮及其结构表征

魏文平1, 张丹枫1, 赵平1, 袁荞龙1, 黄葆同1,2   

    1. 华东理工大学材料科学与工程学院, 上海 200237;
    2. 中国科学院长春应用化学研究所, 长春 130022
  • 收稿日期:2005-09-15 修回日期:1900-01-01 出版日期:2006-10-10 发布日期:2006-10-10
  • 通讯作者: 张丹枫

Synthesis and Crystal Structure Characterization of 2,2'-Diphenyl-1,4-benzoxazin-3(4H)-one under Microwave Irradiation

WEI Wen-Ping1, ZHANG Dan-Feng1, ZHAO Ping1, YUAN Qiao-Long1, HUANG Bao-Tong1,2
   

    1. School of Material Science & Engineering, East China University of Science and Technology, Shanghai 200237, China;
    2. Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  • Received:2005-09-15 Revised:1900-01-01 Online:2006-10-10 Published:2006-10-10

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摘要： 采用微波技术, 在无溶剂条件下合成了2,2'-二苯-1,4-苯并噁嗪-3(4H)酮, 并对其晶体结构进行了表征.

关键词: 2,2’-二苯-1,4-苯并噁嗪-3(4H)酮, 微波合成, 晶体结构

Abstract: Benzoxazinone usually exists in many kinds of plants. It is applied in prepharmacy synthesis, and bioactivity studies, and has been prepared from O-aminophenol and chrol- with alkine and solvent by refluxing for a long time. In this work, 2,2'-diphenyl-1,4-benzoxazin-3(4H)one was solvent-free synthesized under microwave irradiation. The configuration and conformation of the product were determined by 1H NMR, IR, MS, elementary analysis and X-ray crystal analysis. The results of X-ray crystal analysis show that the compound crystallizes in a triclinic system, space group P1, cell parameter a=0.840 7(1) nm, b=0.845 1(1) nm, c=2.254 1(3) nm, α=96.111(3)°, β=97.196(3)°, γ=90.229(3)°, V= 1.579 6(4) nm3, Z=4, Dc=1.267 Mg/m3, F(000)=632.0, μ=0.08 mm-1. In the compound, oxazinone ring is shown chair conformation, two benzene rings is placed in two sides of oxazinone ring distortedly. In crystal state, a centrosymmetric dimmer is formed via hydrogen bonds generated from amides of two near molecules. The benzene rings in a same chemical environment are paralleled by a distance of 0.260 9 nm. It displays aromatic π-π stacking interactions.

Key words: 2,2’-Diphenyl-1,4-benzoxazin-3(4H)-one, Microwave synthesis, Crystal structure

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