[3-(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)propanoylamino]thiourea | 705940-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [3-(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)propanoylamino]thiourea
• CAS: 705940-27-8
• 化学式: C₁₅H₁₈N₄O₂S
• 分子量: 318.4
• InChiKey: BVCDAVSMXHGCAC-UHFFFAOYSA-N

物化性质

• 熔点：
  >370 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  100.27
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [3-(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)propanoylamino]thiourea 在 硫酸 作用下， 反应 24.0h， 以82%的产率得到2,6-dimethyl-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-1H-quinolin-4-one
  参考文献：
  名称：

  Synthesis of Derivatives of 4-Hydroxy-2-methyl-3-[2-(5-mercapto-1H-1,2,4-triazol-3-yl)ethyl]quinoline and 2-[2-(4-Hydroxy-2-methyl-3-quinolyl)ethyl]-4H-3,1-benzoxazin-4-one

  摘要：

  From 4-hydroxy-2-methylquinoline-3-propionyl chlorides hydrochlorides the corresponding thiosemicarbazides were synthesized. The cyclization of the latter both in alkaline and acidic media furnished 4-hydroxy-2-methyl-3-[2-(5-mercapto-1H-1,2,4-triazol-3-yl)ethyl]quinolines. The reaction of the above propionyl chlorides with anthranilic acid afforded the corresponding 2-[2-(4-hydroxy-2-methyl-3-quinolyl)ethyl]-4H-3, 1-benzoxazin-4-ones.

  DOI：

  10.1023/b:rujo.0000010187.71769.6f
• 作为产物：
  描述：

  β-<2,6-Dimethyl-4-hydroxy-chinolinyl-(3)>-propionsaeure 在 吡啶 、 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 9.0h， 生成 [3-(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)propanoylamino]thiourea
  参考文献：
  名称：

  Synthesis of Derivatives of 4-Hydroxy-2-methyl-3-[2-(5-mercapto-1H-1,2,4-triazol-3-yl)ethyl]quinoline and 2-[2-(4-Hydroxy-2-methyl-3-quinolyl)ethyl]-4H-3,1-benzoxazin-4-one

  摘要：

  From 4-hydroxy-2-methylquinoline-3-propionyl chlorides hydrochlorides the corresponding thiosemicarbazides were synthesized. The cyclization of the latter both in alkaline and acidic media furnished 4-hydroxy-2-methyl-3-[2-(5-mercapto-1H-1,2,4-triazol-3-yl)ethyl]quinolines. The reaction of the above propionyl chlorides with anthranilic acid afforded the corresponding 2-[2-(4-hydroxy-2-methyl-3-quinolyl)ethyl]-4H-3, 1-benzoxazin-4-ones.

  DOI：

  10.1023/b:rujo.0000010187.71769.6f