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有机化学
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有机化学 ›› 2008, Vol. 28 ›› Issue (9): 1624-1628. 上一篇    下一篇

研究简报

噁二唑并[5,4-d][1,5]苯并硫氮杂衍生物的合成、表征及晶体结构

解正峰a; 鹿 毅b ; 王吉德*,a; 刘方明*,c

  

  1. (a新疆大学石油天然气精细化工教育部重点实验室 乌鲁木齐 830046)
    (b新疆产品质量监督检验研究所 乌鲁木齐 830002)
    (c杭州师范大学材料与化学化工学院 杭州 310012)
  • 收稿日期:2007-11-28 修回日期:2008-02-27 发布日期:2008-09-20
  • 通讯作者: 王吉德

Synthesis, Characterization and Single Crystal Structures of Oxadiazolo[5,4-d][1,5]benzothiazepine derivatives

XIE, Zheng-Fenga; LU, Yib ; WANG, Ji-De*,a ; LIU, Fang-Ming*,c   

  1. (a Key Laboratory of Oil & Gas Fine Chemicals, Ministry of Education, Xinjiang University, Urumqi 830046)
    (b Xinjing Supervision and Insperction Institute for Product Quality, Urumqi 830002)
    (c College of Meterial, Chemistry and Chemical Engineering, Hangzhou Normal University, Hangzhou 310012)
  • Received:2007-11-28 Revised:2008-02-27 Published:2008-09-20
  • Contact: WANG, Ji-De

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以1,5-苯并硫氮杂(1a～1o)为原料, 在三乙胺作用下与α-氯代喹喔啉-2-甲醛肟(2)发生1,3-偶极环加成反应得到一系列噁二唑并[5,4-d][1,5]苯并硫氮杂衍生物3a～3o. 产物的结构经元素分析、IR和1H NMR确认. 并用X射线衍射法测定了化合物3a的晶体结构. 化合物3a属三斜晶系, 空间群P-1, 晶胞参数: a＝0.97376(19) nm, b＝1.0017(2) nm, c＝1.3526(3) nm, α＝78.50(3)°, β＝84.30(3)°, γ＝68.26(3)°, Mr＝486.58, V＝1.2005(4) nm3, Dc＝1.346 Mg/m3, Z＝2, F(000)＝508.

关键词: 1,3-偶极环加成, 1,5-苯并硫氮杂, 晶体结构, α-氯代喹喔啉-2-甲醛肟

A series of oxadiazolo[5,4-d][1,5]benzothiazepine derivatives (3a～3o) were prepared by 1,3-dipolar cycloaddition reaction of 1,5-benzothiazepines (1a～1o) with α-chloro-quinoxaline-2-carboxal- dehyde oxime 2 in the presence of triethylamine. The structures were characterized by elemental analysis, IR, 1H NMR spectra, and the structure of 3a was confirmed by X-ray single-crystal diffraction analysis. The crystal of the compound 3a belongs to triclinic, space group P-1 with cell parameters a＝0.97376(19) nm, b＝1.0017(2) nm, c＝1.3526(3) nm, α＝78.50(3)°, β＝84.30(3)°, γ＝68.26(3)°, Mr＝486.58, V＝1.2005(4) nm3, Dc＝1.346 Mg/m3, Z＝2 and F(000)＝508.

Key words: 1,3-dipolar cycloaddition, α-chloro-quinoxaline-2-carboxaldehyde oxime, crystal struc-ture, 1,5-benzothiazepine