3-(4-chloro-phenyl)-5,6-dihydro-thiazolo[2,3-c][1,2,4]triazole | 72647-27-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-chloro-phenyl)-5,6-dihydro-thiazolo[2,3-c][1,2,4]triazole
• 英文别名: 3-(4-Chlorophenyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
• CAS: 72647-27-9
• 化学式: C₁₀H₈ClN₃S
• 分子量: 237.713
• InChiKey: VKXVXFOXELYZPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(4-chlorophenyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazole-5-thione 在 PPA 作用下， 反应 2.0h， 以97%的产率得到3-(4-chloro-phenyl)-5,6-dihydro-thiazolo[2,3-c][1,2,4]triazole
  参考文献：
  名称：

  Synthesis and Tuberculostatic Activity of 1,3-Thiazacycloalkyl[3,2-b]-1,2,4-triazoles

  摘要：

  The 4-hydroxyalkyl-1,2,4-triazole-3-thiones cyclization allowed its to work out the effective method of 1,3-thiazacycloalkyl[3,2-b]-1,2,4-triazoles synthesis. Some of the compounds that were obtained were tested for their tuberculostatic activity.

  DOI：

  10.1080/104265090968244

文献信息

• Payne,L.G. et al., Heterocycles, 1979, vol. 12, # 9, p. 1171 - 1174
  作者：Payne,L.G. et al.

  DOI：——

  日期：——
• GUPTA, G. D.;PUJARI, H. K., ANN. SOC. SCI. BRUXELLES, 1982, 96, N 3, 155-161
  作者：GUPTA, G. D.、PUJARI, H. K.

  DOI：——

  日期：——
• Synthesis and Tuberculostatic Activity of 1,3-Thiazacycloalkyl[3,2-b]-1,2,4-triazoles
  作者：Barbara Milczarska、Henryk Foks、Urszula Dobrzycka、Zofia Zwolska、Ewa Augustynowicz-Kopeć

  DOI：10.1080/104265090968244

  日期：2005.12

  The 4-hydroxyalkyl-1,2,4-triazole-3-thiones cyclization allowed its to work out the effective method of 1,3-thiazacycloalkyl[3,2-b]-1,2,4-triazoles synthesis. Some of the compounds that were obtained were tested for their tuberculostatic activity.