4-(4-(trifluoromethy)phenyl)-4H-1,2,4-triazole-3-thiol | 261962-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-(trifluoromethy)phenyl)-4H-1,2,4-triazole-3-thiol
• 英文别名: 4-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
• CAS: 261962-35-0
• 化学式: C₉H₆F₃N₃S
• mdl: MFCD00207972
• 分子量: 245.228
• InChiKey: JZQDWMJNKSREOA-UHFFFAOYSA-N

物化性质

• 沸点：
  284.0±50.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)
• 溶解度：
  >36.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲酸乙酯 、 4-[4-(三氟甲基)苯基]-3-硫代氨基脲 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以43%的产率得到4-(4-(trifluoromethy)phenyl)-4H-1,2,4-triazole-3-thiol
  参考文献：
  名称：

  Synthesis of Trifluoroalkyl- and Fluoroaryl-Substituted 4,5-Dihydro-1H-1,2,4-triazole-5-thiones

  摘要：

  Reactions of 4-(4-fluorophenyl)-, 4-(4-trifluoromethoxyphenyl)-, 4-(3,4-difluorophenyl)-, 4-(4-trifluoromethylphenyl)-, 4-piperidino-, and 4-(3-pyridyl)thiosemicarbazides with esters gave the corresponding 3,4-disubstituted 4,5-dihydro-1H-1,2,4-triazole-5-thiones and their S-alkyl derivatives. Analogous reactions with methyl 2,2,3,3,4,4,5,5-octafluoropentanoate and 2,2,3,3,4,4,5,5-octafluoropentanenitrile afforded, respectively, the acylation and addition products.

  DOI：

  10.1023/b:rujo.0000044552.07729.40

文献信息

• [EN] NOVEL QUINOXALINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE QUINOXALINE
  申请人：DONG A PHARM CO LTD

  公开号：WO2011122815A2

  公开（公告）日：2011-10-06

  This invention relates to a novel compound represented by the following Chemical Formula 1, a process for preparing it, and its pharmaceutically approved salt comprising it as an active ingredient. The compound of this invention is GLP 1 receptor regulating low molecular weight compound useful for treatment of metabolic diseases such as diabetes and obesity by regulating the function of glucagon like peptide 1 receptor (GLP 1 receptor) for the disease or disorder carried by GLP 1 since it has the effects on a drop of blood sugar and an improvement of insulin resistance.