2-(2'-Hydroxy-3'-chlorophenyl)benzimidazole | 96459-82-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(2'-Hydroxy-3'-chlorophenyl)benzimidazole
• 英文别名: 2-(3-Chlor-2-hydroxy-phenyl)-benzimidazol；2-(1H-benzimidazol-2-yl)-6-chlorophenol
• CAS: 96459-82-4
• 化学式: C₁₃H₉ClN₂O
• 分子量: 244.68
• InChiKey: AREKLUFNKQSWRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4,4-三氟巴豆酸甲酯 、 2-(2'-Hydroxy-3'-chlorophenyl)benzimidazole 在 potassium carbonate 作用下， 反应 24.0h， 以178 mg的产率得到methyl 2-(4-chloro-6-(trifluoromethyl)-6H-benzo[e]benzo[4,5]imidazo[1,2-c][1,3]oxazin-6-yl)acetate
  参考文献：
  名称：

  氟烷基化苯并咪唑或吲哚稠合苯并恶嗪的简便合成

  摘要：

  本文描述了通过使用氟烷基化丙炔酸酯作为结构单元来合成氟烷基化苯并咪唑或吲哚稠合的苯并恶嗪。苯并咪唑融合产品是通过方便的一锅两步工艺获得的，这一特性可能使该协议具有吸引力。将氟烷基结合到这些杂环中可能会为药物开发提供更多机会。

  DOI：

  10.1002/ejoc.202101501
• 作为产物：
  描述：

  3-氯水杨酸 、 邻苯二胺 在 PPA 作用下， 以75%的产率得到2-(2'-Hydroxy-3'-chlorophenyl)benzimidazole
  参考文献：
  名称：

  2-(2'-Hydroxyphenyl)benzothiazoles, -benzoxazoles, and -benzimidazoles for plastic scintillation applications

  摘要：

  A new series of fluorescent compounds has been tested as dopants for plastic scintillation applications. Several 2-(2'-hydroxyphenyl)benzothiazole, -benzoxazole, and -benzimidazole derivatives have been prepared and studied in a polystyrene matrix. Each derivative has been added to a styrene solution which has been thermally polymerized. The transmittance, fluorescence, and light yield characteristics of these compounds in polystyrene have been determined. Their emission time distributions have also been measured, and the decay time constants have been calculated from these data. In addition, the doped polystyrene samples have been irradiated to a total dose of 10 Mrad, utilizing a Co-60 source in order to evaluate their susceptibility to radiation-induced damage.

  DOI：

  10.1021/jo00122a027