ethyl 3-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]-3-phenylpropanoate | 1427523-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: ethyl 3-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]-3-phenylpropanoate
• CAS: 1427523-32-7
• 化学式: C₂₅H₂₂N₄O₃
• 分子量: 426.475
• InChiKey: KCLIKRAWJOLIBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.16
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  85.58
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]-3-phenylpropanoate 在 盐酸 、 溶剂黄146 作用下， 反应 1.0h， 以70%的产率得到2-(5-oxo-3-phenyl-4,5-dihydropyrazol-1-yl)-3-phenylquinazolin-4(3H)-one
  参考文献：
  名称：

  Spectral Characterization of Novel 3-Phenyl-2-Substituted Quinazoline and Fused Quinazoline Derivatives

  摘要：

  3-phenyl-2-thioxo-quinazolin-4(3H)one 1 was utilized for the construction of some novel 2-substituted quinazolin-4(3H)one derivatives through the formation of 2-hydrazinyl quinazolinone, which was used as the key starting material for the synthesis of 2-heteryl quinazolines via the reaction with one carbon donors, -diketones and -ketoester. Infrared, H-1 NMR, and mass spectra of the synthesized compounds were discussed. Some of them showed promising anti-inflammatory activity. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2011.642924
• 作为产物：
  描述：

  邻氨基苯甲酸 在 吡啶 、 hydrazine hydrate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 16.0h， 生成 ethyl 3-[(4-oxo-3-phenylquinazolin-2-yl)hydrazinylidene]-3-phenylpropanoate
  参考文献：
  名称：

  Spectral Characterization of Novel 3-Phenyl-2-Substituted Quinazoline and Fused Quinazoline Derivatives

  摘要：

  3-phenyl-2-thioxo-quinazolin-4(3H)one 1 was utilized for the construction of some novel 2-substituted quinazolin-4(3H)one derivatives through the formation of 2-hydrazinyl quinazolinone, which was used as the key starting material for the synthesis of 2-heteryl quinazolines via the reaction with one carbon donors, -diketones and -ketoester. Infrared, H-1 NMR, and mass spectra of the synthesized compounds were discussed. Some of them showed promising anti-inflammatory activity. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2011.642924