4,6-bis(4-fluorophenyl)-2-(4-nitrophenyl)-1,2,4,5-tetrahydro-3H-indazol-3-one | 1407897-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,6-bis(4-fluorophenyl)-2-(4-nitrophenyl)-1,2,4,5-tetrahydro-3H-indazol-3-one
• 英文别名: 4,6-bis(4-fluorophenyl)-2-(4-nitrophenyl)-4,5-dihydro-1H-indazol-3-one
• CAS: 1407897-51-1
• 化学式: C₂₅H₁₇F₂N₃O₃
• 分子量: 445.425
• InChiKey: UYBCVNHWEVOUAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 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：
  6

反应信息

• 作为产物：
  描述：

  ethyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate 、 4-硝基苯肼 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以56%的产率得到4,6-bis(4-fluorophenyl)-2-(4-nitrophenyl)-1,2,4,5-tetrahydro-3H-indazol-3-one
  参考文献：
  名称：

  A study on the reactions of alkyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate and in vitro antioxidant activity of derivatives

  摘要：

  New functionalized derivatives were prepared using alkyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate as a building block. Newly prepared compounds were well characterized using H-1 NMR, IR, and mass spectral data. All the synthesized products were screened for their antioxidant properties. Among the tested compounds, indazole derivatives exhibited noticeable DPPH radical scavenging activity and reducing power capacity in comparison with the standard Glutathione.

  DOI：

  10.1007/s00044-012-0304-7

文献信息

• A study on the reactions of alkyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate and in vitro antioxidant activity of derivatives
  作者：Seranthimata Samshuddin、Badiadka Narayana、Balladka Kunhanna Sarojini、Leelavathi Narayana Madhu

  DOI：10.1007/s00044-012-0304-7

  日期：2013.6

  New functionalized derivatives were prepared using alkyl 4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate as a building block. Newly prepared compounds were well characterized using H-1 NMR, IR, and mass spectral data. All the synthesized products were screened for their antioxidant properties. Among the tested compounds, indazole derivatives exhibited noticeable DPPH radical scavenging activity and reducing power capacity in comparison with the standard Glutathione.