[3-(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanoylamino]thiourea | 705940-28-9

• 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-(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanoylamino]thiourea
• CAS: 705940-28-9
• 化学式: C₁₅H₁₈N₄O₃S
• 分子量: 334.399
• InChiKey: ZOWOKBYVBJXNHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  109.5
• 氢给体数：
  4.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [3-(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanoylamino]thiourea 在 sodium hydroxide 作用下， 以77%的产率得到6-methoxy-2-methyl-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：

  3-(4-Hydroxy-6-methoxy-2-methylquinolin-3-yl)propanoic acid 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-(6-methoxy-2-methyl-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