2-(3-Fluorophenyl)imidazole-5-methanol | 1001755-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(3-Fluorophenyl)imidazole-5-methanol
• 英文别名: [2-(3-fluorophenyl)-1H-imidazol-5-yl]methanol
• CAS: 1001755-39-0
• 化学式: C₁₀H₉FN₂O
• 分子量: 192.193
• InChiKey: NWUCGPRZOIEGOW-UHFFFAOYSA-N

物化性质

• 沸点：
  441.9±30.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-Fluorophenyl)imidazole-5-methanol 在 氯化亚砜 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.67h， 生成 N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
  参考文献：
  名称：

  2-Phenyl-4-(aminomethyl)imidazoles as Potential Antipsychotic Agents. Synthesis and Dopamine D2 Receptor Binding

  摘要：

  A series of 2-phenyl-4-(aminomethyl)imidazoles were designed as conformationally restricted analogs of the dopamine D-2 selective benzamide antipsychotics. The title compounds were synthesized and tested for blockade of[H-3]YM-09151 binding in cloned African green monkey dopamine D-2 receptor preparations. The binding affinity data thus obtained were compared against that of the benzamides and a previously described series of 2-phenyl-5-(aminomethyl)-pyrroles.

  DOI：

  10.1021/jm00012a026
• 作为产物：
  描述：

  3-氟苯腈 在 ammonium hydroxide 、 氯化铵 、 lithium hexamethyldisilazane 作用下， 以 乙醚 为溶剂， 反应 2.5h， 生成 2-(3-Fluorophenyl)imidazole-5-methanol
  参考文献：
  名称：

  2-Phenyl-4-(aminomethyl)imidazoles as Potential Antipsychotic Agents. Synthesis and Dopamine D2 Receptor Binding

  摘要：

  A series of 2-phenyl-4-(aminomethyl)imidazoles were designed as conformationally restricted analogs of the dopamine D-2 selective benzamide antipsychotics. The title compounds were synthesized and tested for blockade of[H-3]YM-09151 binding in cloned African green monkey dopamine D-2 receptor preparations. The binding affinity data thus obtained were compared against that of the benzamides and a previously described series of 2-phenyl-5-(aminomethyl)-pyrroles.

  DOI：

  10.1021/jm00012a026