1-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone | 1144511-85-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
• CAS: 1144511-85-2
• 化学式: C₁₆H₇Cl₄F₂N₃OS
• 分子量: 469.126
• InChiKey: FUWPONANUAWGCH-UHFFFAOYSA-N

物化性质

• 沸点：
  626.3±65.0 °C(predicted)
• 密度：
  1.72±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27
• 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：
  6

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone 在 PPA 、 Polyphosphoric acid (PPA) 、 水 、 碳酸氢钠 作用下， 反应 6.0h， 以72%的产率得到2,6-bis(2,4-dichloro-5-fluorophenyl)[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 、 α-bromo-(2,4-dichloro-5-fluoro)acetophenone 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 1-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichloro-5-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]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

文献信息

• Synthesis, analgesic, anti-inflammatory and antimicrobial studies of 2,4-dichloro-5-fluorophenyl containing thiazolotriazoles
  作者：Mari Sithambaram Karthikeyan

  DOI：10.1016/j.ejmech.2008.04.022

  日期：2009.2

  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.