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化学学报
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化学学报 ›› 2003, Vol. 61 ›› Issue (6): 917-921. 上一篇    下一篇

研究论文

3－苯氧甲基－6－（2，4－二氟苯基）－7H-1,2,4-三唑并[3,4-b][1,3,4]噻二嗪的合成与晶体结构研究

张力学;张安将;胡茂林;雷新响;徐志雄;张自义   

  1. 温州师范学院化学系;兰州大学化学化工学院
  • 发布日期:2003-06-15

Synthesis and Crystal Structure of 3-Phenoxymethyl-6-(2,4- difluorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

Zhang Lixue;Zhang Anjiang;Hu Maolin;Lei Xinxiang;Xu Zhixiong;Zhang Ziyi   

  1. Department of Chemistry, Wenzhou Normal College;College of Chemistry and Chemical Engineering, Lanzhou University
  • Published:2003-06-15

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由苯氧乙酸出发，经多步反应，制得3-苯氧甲基－4－氨基－5－巯基－1，2， 4－三唑，它与2-氯－2'，4'－二氟苯乙酮进行环化反应，生成3-苯氧甲基－6－（ 2,4-二氟苯基）－7H-1,2,4-三唑并[3,4-b][1,3,4]噻二嗪，通过元素分析、红外 光谱、核磁共振氢谱与碳谱、质谱进行表征，并利用单晶X射线衍射法测定其结构 。晶体属单斜晶系、P2_(1/c)空间群，a = 1.339(3) nm, b = 1.4683(4) nm, c = 0.8606(2) nm, β = 108.49(2)°, Z = 4, F(000) = 736, R_1 = 0.0509。还 对均三唑并噻二唑两类稠杂环的晶体结构作了比较。

关键词: 三唑 P, 噻二嗪 P, 晶体结构, X射线衍射分析, 苯氧乙酸, 元素分析, 红外分光光度法, 质子磁共振谱法

3-Phenoxymethyl-6-(2,4-difluorophenyl)-7H-l,2,4-triazolo [3,4-6 ] [ 1,3,4] thiadiazine, C_(17)H_(12)F_2N_4OS, was synthesized by cyclization of 3-phenoxymethyl-4-amino-5-mercapto-l, 2, 4-triazole with 2-chloro-2', 4'-difluoroacetophenone. The structure of the title compound was determined by elemental analysis, IR, ~1H NMR, ~(13)C NMR, MS and X-ray diffraction analysis. Crystal data: monoclinic, space group P2_(1/c), a = 1.339(3) nm, b = 1.4683(4) nm, c =0.8606(2) nm, β = 108.49(2)°, Z = 4, F(000)=736, R_1 =0.0509.

Key words: PYRRODIAZOLE P, THIADIAZINE P, CRYSTAL STRUCTURE, XRD, NAPHTHOXYACETIC ACID, ELEMENTAL ANALYSIS, IR, 1HNMR

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