4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide | 1391948-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide
• 英文别名: 4-trifluoromethyl-(1,2,3)-thiadiazol-5-carboxylic acid hydrazide；4-(trifluoromethyl)thiadiazole-5-carbohydrazide
• CAS: 1391948-36-9
• 化学式: C₄H₃F₃N₄OS
• 分子量: 212.155
• InChiKey: DYOCRICKKHISKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide 、 5-(2,4-Difluorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde 以 1,4-二氧六环 为溶剂， 反应 23.0h， 生成
  参考文献：
  名称：

  含三氟甲基噻二唑单元的吡唑酰腙的制备方法和应用

  摘要：

  本发明涉及含三氟甲基噻二唑单元的吡唑酰腙的制备方法和应用。利用三氟甲基噻二唑酰肼与吡唑醛的缩合得到。所述含三氟甲基噻二唑单元的吡唑酰腙对植物病菌表现出优良的防治效果，该化合物可用于制备农业、园艺等领域的杀菌剂。

  公开号：

  CN111606903B
• 作为产物：
  描述：

  ethyl 4-(trifluoromethyl)-1,2,3-thiadiazole-5-carboxylate 在 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以72%的产率得到4-(trifluoromethyl)-1,2,3-thiadiazole-5-carbohydrazide
  参考文献：
  名称：

  Synthesis, antimicrobial and cytotoxic activities of novel 4-trifluoromethyl-(1,2,3)-thiadiazolo-5-carboxylic acid hydrazide Schiff’s bases

  摘要：

  A series of novel 1,2,3-thiadiazolo-5-carboxylic acid hydrazide Schiff's bases 4a-4r were prepared starting from ethyl-4,4,4-trifluoroacetoacetate and ethyl carbazate in four steps. All the compounds were screened for antibacterial activity against various bacterial strains at 150 mu g/ml concentration and found no activity. Similarly, all the compounds were screened for antifungal activity against various fungal strains at 100 and 150 mu g/ml concentrations. Compounds 4a, 4m, and 4q found to show moderate activity against Candida albicans. Further, compounds were evaluated for cytotoxic activity against breast carcinoma cells MDA-MB 231 (aggressive), MCF-7 (non-aggressive) using doxorubicin as standard. Compound 4n was found to show 25.39 % cell viability against MDA-MB 231 and 63.60 % cell viability against MCF-7 cells.

  DOI：

  10.1007/s00044-012-0168-x