1-(1H-7-indazolyl)-2,6-dimethyl-1H-pyridin-4-one | 1086007-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1-(1H-7-indazolyl)-2,6-dimethyl-1H-pyridin-4-one
• 英文别名: 1-(1H-indazol-7-yl)-2,6-dimethylpyridin-4-one
• CAS: 1086007-04-6
• 化学式: C₁₄H₁₃N₃O
• 分子量: 239.277
• InChiKey: QSJPIYWFKBCEAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  去氢乙酸 、 7-氨基吲唑 、 正丁醇 在 对甲苯磺酸 作用下， 反应 72.0h， 以42%的产率得到1-(1H-7-indazolyl)-2,6-dimethyl-1H-pyridin-4-one
  参考文献：
  名称：

  Reactions of 2-Pyrones with 7-Aminoindazole: The First Synthesis of N-(1H-7-Indazolyl)-pyridinones

  摘要：

  New N-(1H-7-indazolyl)-pyridinones have been prepared by the condensation of 2-pyrone derivatives with 7-aminoindazole in the presence of acid medium. They have been characterized by means of (1)H and (13)C NMR, IR, and mass spectroscopy. The structure of the compounds and the mechanism of their formation are reported.

  DOI：

  10.1080/00397910802162983

文献信息

• Reactions of 2-Pyrones with 7-Aminoindazole: The First Synthesis of <i>N</i>-(1<i>H</i>-7-Indazolyl)-pyridinones
  作者：E. M. Rakib、L. Bouissane、A. Hannioui、M. Benchidmi、E. M. Essassi

  DOI：10.1080/00397910802162983

  日期：2008.9.29

  New N-(1H-7-indazolyl)-pyridinones have been prepared by the condensation of 2-pyrone derivatives with 7-aminoindazole in the presence of acid medium. They have been characterized by means of (1)H and (13)C NMR, IR, and mass spectroscopy. The structure of the compounds and the mechanism of their formation are reported.