2-(3,5-dinitro-4-fluorobenzoyl)benzoic acid | 1401216-75-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3,5-dinitro-4-fluorobenzoyl)benzoic acid
• 英文别名: 2-(4-Fluoro-3,5-dinitrobenzoyl)benzoic acid
• CAS: 1401216-75-8
• 化学式: C₁₄H₇FN₂O₇
• 分子量: 334.217
• InChiKey: ILQAXIHBPFSDFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  146
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(3,5-dinitro-4-fluorobenzoyl)benzoic acid 在 硫酸 、 sodium acetate 作用下， 反应 6.0h， 生成 3-(2,4-diacetoxyphenyl)-3-(3,5-dinitro-4-fluorophenyl)phthalide
  参考文献：
  名称：

  Studies on synthetic and structural characterization of new fluorine substituted phthalides of pharmaceutical interest

  摘要：

  An efficient and economical synthesis of some new fluorine substituted phthalides was accomplished from two gamma-keto acids, 2-(4-fluorobenzoyl)benzoic acid and 2-(3,5-dinitro-4-flurobenzoyl)benzoic acid. Each acid was reacted with various phenolic compounds in presence of catalytic quantity of concentrated sulphuric acid to get the phthalides. The structures of the synthesized compounds were established on the basis of their elemental analysis, spectral data and chemical reactions. Some of the synthesized phthalides exhibited antibacterial and antifungal activity on antimicrobial screening against human pathogenic bacteria and fungi.

  DOI：

  10.3109/14756366.2011.606622
• 作为产物：
  描述：

  苯酐 在 aluminum (III) chloride 、 硫酸 、 硝酸 作用下， 反应 1.0h， 生成 2-(3,5-dinitro-4-fluorobenzoyl)benzoic acid
  参考文献：
  名称：

  Studies on synthetic and structural characterization of new fluorine substituted phthalides of pharmaceutical interest

  摘要：

  An efficient and economical synthesis of some new fluorine substituted phthalides was accomplished from two gamma-keto acids, 2-(4-fluorobenzoyl)benzoic acid and 2-(3,5-dinitro-4-flurobenzoyl)benzoic acid. Each acid was reacted with various phenolic compounds in presence of catalytic quantity of concentrated sulphuric acid to get the phthalides. The structures of the synthesized compounds were established on the basis of their elemental analysis, spectral data and chemical reactions. Some of the synthesized phthalides exhibited antibacterial and antifungal activity on antimicrobial screening against human pathogenic bacteria and fungi.

  DOI：

  10.3109/14756366.2011.606622