N-(2-Fluorphenyl)-2,6-difluorbenzamidin | 141502-31-0

• 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: N-(2-Fluorphenyl)-2,6-difluorbenzamidin
• 英文别名: 2,6-Difluoro-N'-(2-fluorophenyl)benzene-1-carboximidamide；2,6-difluoro-N'-(2-fluorophenyl)benzenecarboximidamide
• CAS: 141502-31-0
• 化学式: C₁₃H₉F₃N₂
• 分子量: 250.223
• InChiKey: DFWSHIWHSJASIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-(2-Fluorphenyl)-2,6-difluorbenzamidinium-p-toluolsulfonat 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以77%的产率得到N-(2-Fluorphenyl)-2,6-difluorbenzamidin
  参考文献：
  名称：

  Neue N-Arylsubstituierte 2,6-Difluorbenzamidine

  摘要：

  Addition of various anilines as their p-toluenesulfonic salts to 2,6-difluorobenzonitrile leads to N-aryl-2,6-difluorobenzamidinium-p-toluenesulfonates bearing N-aryl substituents as follows: (2-fluorophenyl)-, (3-fluorophenyl)-, (4-fluorophenyl)-, (2-chlorophenyl)-, (3-chlorophenyl)- and (4-chlorophenyl)-. The corresponding N-aryl-2,6-difluorobenzamidines were isolated as free bases. The characterization of the new compounds was done by IR, H-1 NMR and mass spectrometry.

  DOI：

  10.1016/s0022-1139(00)80115-3

文献信息

• Neue N-Arylsubstituierte 2,6-Difluorbenzamidine
  作者：Alfred Kreutzberger、Kerstin Spuck

  DOI：10.1016/s0022-1139(00)80115-3

  日期：1991.12

  Addition of various anilines as their p-toluenesulfonic salts to 2,6-difluorobenzonitrile leads to N-aryl-2,6-difluorobenzamidinium-p-toluenesulfonates bearing N-aryl substituents as follows: (2-fluorophenyl)-, (3-fluorophenyl)-, (4-fluorophenyl)-, (2-chlorophenyl)-, (3-chlorophenyl)- and (4-chlorophenyl)-. The corresponding N-aryl-2,6-difluorobenzamidines were isolated as free bases. The characterization of the new compounds was done by IR, H-1 NMR and mass spectrometry.