4-Oxo-1-(p-tolyl)-4,5,6,7-tetrahydro-indazol | 15881-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Oxo-1-(p-tolyl)-4,5,6,7-tetrahydro-indazol
• 英文别名: 1-p-tolyl-1,5,6,7-tetrahydro-indazol-4-one；1-(p-Tolyl)-6,7-dihydro-1H-indazol-4(5H)-one；1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
• CAS: 15881-68-2
• 化学式: C₁₄H₁₄N₂O
• 分子量: 226.278
• InChiKey: OAXCPTFGZCIKHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Oxo-1-(p-tolyl)-4,5,6,7-tetrahydro-indazol 、 4-甲氧基苯甲醛 、 丙二腈 在 ammonium acetate 作用下， 以 neat (no solvent) 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Four-Component Domino Synthesis of Pyrazolo[3,4-h]quinoline-3-carbonitriles: “Turn-Off” Fluorescent Chemosensor for Fe³⁺ Ions

  摘要：

  The synthesis of novel pyrazolo[3,4-h]quinoline-3-carbonitriles has been achieved through a one pot, four-component domino strategy under solvent-free microwave conditions. One of these compounds exhibited fluorescence under UV lamp and was found to be highly sensitive toward Fe3+ ions in DMSO against various metal ions with a detection limit of 8.6 x 10(-7) M.

  DOI：

  10.1021/acs.joc.8b01991
• 作为产物：
  描述：

  2-[(二甲基氨基)亚甲基]-1,3-环己二酮 、 对甲基苯肼 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 0.03h， 生成 4-Oxo-1-(p-tolyl)-4,5,6,7-tetrahydro-indazol
  参考文献：
  名称：

  Four-Component Domino Synthesis of Pyrazolo[3,4-h]quinoline-3-carbonitriles: “Turn-Off” Fluorescent Chemosensor for Fe³⁺ Ions

  摘要：

  The synthesis of novel pyrazolo[3,4-h]quinoline-3-carbonitriles has been achieved through a one pot, four-component domino strategy under solvent-free microwave conditions. One of these compounds exhibited fluorescence under UV lamp and was found to be highly sensitive toward Fe3+ ions in DMSO against various metal ions with a detection limit of 8.6 x 10(-7) M.

  DOI：

  10.1021/acs.joc.8b01991