N-(2,3,4,5-tetrafluorobenzoyl)-N'-(p-tolyl)thiourea | 1126468-86-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2,3,4,5-tetrafluorobenzoyl)-N'-(p-tolyl)thiourea
• 英文别名: N-(2,3,4,5-tetrafluorobenzoyl)-N'-(p-tolyl)thio-urea；2,3,4,5-tetrafluoro-N-[(4-methylphenyl)carbamothioyl]benzamide
• CAS: 1126468-86-7
• 化学式: C₁₅H₁₀F₄N₂OS
• 分子量: 342.317
• InChiKey: JSKWCDOVWIMEPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(2,3,4,5-tetrafluorobenzoyl)-N'-(p-tolyl)thiourea 在 肼 作用下， 以 乙醇 为溶剂， 以83%的产率得到[5-(4-hydrazino-2,3,5-trifluorophenyl)-4H-1,2,4-triazol-3-yl](p-tolyl)amine
  参考文献：
  名称：

  Fluorine-containing heterocycles: XVII. (Tetrafluorobrnzoyl)thioureas in the synthesis of fluorine-containing azaheterocycles

  摘要：

  Proceeding from (tetrafluorobenzoyl)thioureas fluorine-containing derivatives were synthesized of 1-aryl-2-ethylthioquinazolin-4-one, [1,3]benzothiazin-4-one, and also of thiazolidine and 1H-1,2,4-triazole.

  DOI：

  10.1134/s1070428008050199
• 作为产物：
  描述：

  2,3,4,5-tetrafluorobenzoyl isothiocyanate 、 乙烷,三氯氟- 以 甲苯 、 乙腈 为溶剂， 生成 N-(2,3,4,5-tetrafluorobenzoyl)-N'-(p-tolyl)thiourea
  参考文献：
  名称：

  Fluorine-containing heterocycles: XVII. (Tetrafluorobrnzoyl)thioureas in the synthesis of fluorine-containing azaheterocycles

  摘要：

  Proceeding from (tetrafluorobenzoyl)thioureas fluorine-containing derivatives were synthesized of 1-aryl-2-ethylthioquinazolin-4-one, [1,3]benzothiazin-4-one, and also of thiazolidine and 1H-1,2,4-triazole.

  DOI：

  10.1134/s1070428008050199

文献信息

• Fluorine-containing heterocycles: XVII. (Tetrafluorobrnzoyl)thioureas in the synthesis of fluorine-containing azaheterocycles
  作者：G. N. Lipunova、E. V. Nosova、A. A. Laeva、T. V. Trashakhova、P. A. Slepukhin、V. N. Charushin

  DOI：10.1134/s1070428008050199

  日期：2008.5

  Proceeding from (tetrafluorobenzoyl)thioureas fluorine-containing derivatives were synthesized of 1-aryl-2-ethylthioquinazolin-4-one, [1,3]benzothiazin-4-one, and also of thiazolidine and 1H-1,2,4-triazole.