2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone | 1144511-83-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone
• CAS: 1144511-83-0
• 化学式: C₁₆H₈Cl₄FN₃OS
• 分子量: 451.135
• InChiKey: OSBSINCQLUJBHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  83.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone 在 PPA 、 Polyphosphoric acid (PPA) 、 水 、 碳酸氢钠 作用下， 反应 6.0h， 以70%的产率得到2-(2,4-dichloro-5-fluorophenyl)-6-(2,4-dichlorophenyl)-1,3-thiazolo[3,2-b]-1,2,4-triazole
  参考文献：
  名称：

  Synthesis, analgesic, anti-inflammatory and antimicrobial studies of 2,4-dichloro-5-fluorophenyl containing thiazolotriazoles

  摘要：

  A series of 2,4-dichloro-5-fluorophenyl containing thiazolotriazoles (1) were synthesized starting from 3-(2,4-dichloro-5-fluorophenyl)-4H-1,2,4-triazole-3-thiol (5). The newly synthesized compounds were characterized by IR, H-1 NMR, mass and elemental analysis. Some of the synthesized compounds were tested for their anti-inflammatory, analgesic and antimicrobial activities. Compounds 8c, 8d and 8h exhibited excellent anti-inflammatory activity whereas compounds 8d, 8e and 8h showed excellent analgesic activity. Compounds 8a, 8c-e, and 8h exhibited good antibacterial activity and compounds 8c, 8e and 8h showed good antifungal activity. (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.04.022
• 作为产物：
  描述：

  3-(2,4-dichloro-5-fluorophenyl)-4H-1,2,4-triazole-5-thiol 、 2-溴-2',4'-二氯苯乙酮 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dichlorophenyl)ethanone
  参考文献：
  名称：

  Synthesis, analgesic, anti-inflammatory and antimicrobial studies of 2,4-dichloro-5-fluorophenyl containing thiazolotriazoles

  摘要：

  A series of 2,4-dichloro-5-fluorophenyl containing thiazolotriazoles (1) were synthesized starting from 3-(2,4-dichloro-5-fluorophenyl)-4H-1,2,4-triazole-3-thiol (5). The newly synthesized compounds were characterized by IR, H-1 NMR, mass and elemental analysis. Some of the synthesized compounds were tested for their anti-inflammatory, analgesic and antimicrobial activities. Compounds 8c, 8d and 8h exhibited excellent anti-inflammatory activity whereas compounds 8d, 8e and 8h showed excellent analgesic activity. Compounds 8a, 8c-e, and 8h exhibited good antibacterial activity and compounds 8c, 8e and 8h showed good antifungal activity. (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.04.022