4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-nitrophenyl)-1,2,4,5-tetrahydro-3H-indazol-3-one | 1471413-52-1

• 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-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-nitrophenyl)-1,2,4,5-tetrahydro-3H-indazol-3-one
• 英文别名: 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-nitrophenyl)-4,5-dihydro-1H-indazol-3-one
• CAS: 1471413-52-1
• 化学式: C₂₅H₁₇BrFN₃O₃
• 分子量: 506.331
• InChiKey: VWOOWIJOBFDXSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(4-溴苯基)-1-(4-氟苯基)丙-2-烯-1-酮 在 硫酸 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 4-(4-bromophenyl)-6-(4-fluorophenyl)-2-(4-nitrophenyl)-1,2,4,5-tetrahydro-3H-indazol-3-one
  参考文献：
  名称：

  Synthesis of new indazole derivatives as potential antioxidant agents

  摘要：

  New indazole derivatives were synthesized by reacting hydrazine hydrate and its derivatives with cyclohexenone derivatives, which in turn prepared from respective chalcones. The chemical structure of newly synthesized compounds was well characterized by using H-1 NMR, C-13 NMR, IR and mass spectral data. All the synthesized products were screened for their antioxidant properties. All indazole derivatives exhibited noticeable DPPH radical scavenging activity, reducing power capacity and total antioxidant capacity in comparison with the respective standards.

  DOI：

  10.1007/s00044-013-0835-6