5-(2-Chloro-phenyl)-3-methylsulfanyl-1H-[1,2,4]triazole | 74074-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(2-Chloro-phenyl)-3-methylsulfanyl-1H-[1,2,4]triazole
• 英文别名: 5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole；5-(2-chlorophenyl)-3-methylsulfanyl-1H-1,2,4-triazole
• CAS: 74074-44-5
• 化学式: C₉H₈ClN₃S
• 分子量: 225.702
• InChiKey: WQSLQQQMDAEKGR-UHFFFAOYSA-N

物化性质

• 熔点：
  110 °C(Solv: ethanol (64-17-5))
• 沸点：
  434.5±47.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(2-Chloro-phenyl)-3-methylsulfanyl-1H-[1,2,4]triazole 在 potassium permanganate 、 溶剂黄146 作用下， 反应 2.0h， 以79%的产率得到3-(2-Chlorophenyl)-5-(methanesulfonyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Preparation of 5-aryl-3-alkylthio-l,2,4-triazoles and corresponding sulfones with antiinflammatory–analgesic activity

  摘要：

  In this study, a series of 5-aryl-3-alkylthio-1,2,4-triazoles and corresponding sulfones were prepared with the objective of developing better analgesic-antiinflammatory compounds with minimum ulcerogenic risk. The structures of the compounds were elucidated by spectral and elemental analysis. The compounds were assayed per os in mice for their antiinflammatory and analgesic activity as well as the ulcerogenic risk and acute toxicity. Several of these compounds showed significant activity. Alkylsulfone derivatives were found to be much more potent analgesic-antimflammatory agents than the corresponding alkylthio analogs. Compounds 9 and 11 were the most active of the series in both analgesic and antiinflammatory activity tests. In contrast to reference compound acetyl salicylic acid, these compounds did not induce gastric lesions in the stomach of experimental animals at the doses that exhibited analgesic/antiinflammatory activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.11.029
• 作为产物：
  描述：

  N-(Bis-methylsulfanyl-methylene)-2-chloro-benzamide 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以81%的产率得到5-(2-Chloro-phenyl)-3-methylsulfanyl-1H-[1,2,4]triazole
  参考文献：
  名称：

  New Synthesis of DimethylN-Aroylcarbimidodithioates and 3-Aryl-5-methylthio-1H-1,2,4-triazoles

  摘要：

  DOI：

  10.1055/s-1981-29525

文献信息

• Augustin, M.; Richter, M.; Salas, S., Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 1, p. 55 - 68
  作者：Augustin, M.、Richter, M.、Salas, S.

  DOI：——

  日期：——
• AUGUSTIN M.; RICHTER M.; SALAS S., J. PRAKT. CHEM., 1980, 322, NO 1, 55-68
  作者：AUGUSTIN M.、 RICHTER M.、 SALAS S.

  DOI：——

  日期：——
• [EN] FUNGICIDES<br/>[FR] FONGICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2005044008A2

  公开（公告）日：2005-05-19

  A method of combating phytopathogenic diseases on plants and harvested food crops which comprises applying to a plant, to the seed of a plant, to the locus of the plant or seed or to a harvested food crop a fungicidally effective amount of a compound of the general formula (1), and fungicidals compositions containing these compounds.