1-(3-phenylisoquinolin-1-yl)thiosemicarbazide | 1214257-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(3-phenylisoquinolin-1-yl)thiosemicarbazide
• 英文别名: [(3-Phenylisoquinolin-1-yl)amino]thiourea
• CAS: 1214257-75-6
• 化学式: C₁₆H₁₄N₄S
• 分子量: 294.38
• InChiKey: ATOSNWYJGNIPEM-UHFFFAOYSA-N

物化性质

• 沸点：
  500.8±52.0 °C(predicted)
• 密度：
  1.344±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-溴代异戊酸乙酯 、 1-(3-phenylisoquinolin-1-yl)thiosemicarbazide 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以80%的产率得到ethyl 2-(5-isopropyl-4-oxo-2-(2-(3-phenylisoquinolin-1-yl)hydrazineylidene)thiazolidin-3-yl)-3-methylbutanoate
  参考文献：
  名称：

  Synthesis of Some New 2,4-Disubstituted Hydrazinothiazoles and 2,5-Disubstituted Thiazolidinones

  摘要：

  A series of hydrazinothiazoles has been synthesized by the condensation of thiosemicarbazones and alpha-bromoketones. Similarly the hydrazinothiazolidiones were prepared by the condensation of thiosemicarbazone and alpha-bromoesters. The newly synthesized compounds were characterized by NMR and LCMS studies.

  DOI：

  10.1080/10426500802625404
• 作为产物：
  描述：

  1-氯-3-苯基异喹啉 、 氨基硫脲 以 乙醇 为溶剂， 以95%的产率得到1-(3-phenylisoquinolin-1-yl)thiosemicarbazide
  参考文献：
  名称：

  Synthesis of Some New 2,4-Disubstituted Hydrazinothiazoles and 2,5-Disubstituted Thiazolidinones

  摘要：

  A series of hydrazinothiazoles has been synthesized by the condensation of thiosemicarbazones and alpha-bromoketones. Similarly the hydrazinothiazolidiones were prepared by the condensation of thiosemicarbazone and alpha-bromoesters. The newly synthesized compounds were characterized by NMR and LCMS studies.

  DOI：

  10.1080/10426500802625404