[(E)-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]thiourea | 1204479-99-1

• 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: [(E)-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]thiourea
• CAS: 1204479-99-1
• 化学式: C₁₅H₁₈N₄O₂S
• 分子量: 318.4
• InChiKey: PORDGHPVXCFPFZ-RQZCQDPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde 、 氨基硫脲 以 乙醇 为溶剂， 生成 [(E)-(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]thiourea
  参考文献：
  名称：

  4-hydroxy-2-quinolones 165*. 1-R-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carbaldehydes and their thiosemicarbazones. Synthesis, structure, and biological properties

  摘要：

  Two variants are discussed of the synthesis of 1-R-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid beta-N-tosylhydrazides which undergo a McFayden-Stevens reaction to give 1-R-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbaldehydes in high yields. It was shown that the thiosemicarbazones prepared from them exist in the solid state exclusively in the syn-form while in solution a hydrazone. <-> enhydrazine tautomerism is observed. The results of a study of the antitubercular activity of the synthesized compounds are reported.

  DOI：

  10.1007/s10593-009-0327-2