2-(5-methoxybenzofuran-2-yl)-4,5-dihydro-1H-imidazole | 1254572-42-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-(5-methoxybenzofuran-2-yl)-4,5-dihydro-1H-imidazole
• 英文别名: 2-(5-methoxy-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
• CAS: 1254572-42-3
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: JJTCOOJFZVWJMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(5-methoxybenzofuran-2-yl)-4,5-dihydro-1H-imidazole 在 氢溴酸 、 溶剂黄146 作用下， 以 水 为溶剂， 生成 2-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-5-ol
  参考文献：
  名称：

  Novel imidazoline compounds as partial or full agonists of D2-like dopamine receptors inspired by I2-imidazoline binding sites ligand 2-BFI

  摘要：

  Based on the well known biological versatility of the imidazoline nucleus, we prepared the novel derivatives 3a-k inspired by 2-BFI scaffold to assess imidazoline molecules as D-2-like dopamine receptor ligands. Conservative chemical modifications of the lead structure, such as the introduction of an hydroxy group in the aromatic ring alone or associated with N-benzyl substitution, provided partial (3f) or nearly full (3e and 3h) agonists, all endowed with D-2-like potency comparable to that of dopamine. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.08.005
• 作为产物：
  描述：

  5-甲氧基苯并呋喃-2-羧酸 乙酯 、 乙二胺 在 三甲基铝 、 水 作用下， 以 甲苯 、 甲醇 、 二氯甲烷 为溶剂， 反应 3.25h， 以45%的产率得到2-(5-methoxybenzofuran-2-yl)-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  Novel imidazoline compounds as partial or full agonists of D2-like dopamine receptors inspired by I2-imidazoline binding sites ligand 2-BFI

  摘要：

  Based on the well known biological versatility of the imidazoline nucleus, we prepared the novel derivatives 3a-k inspired by 2-BFI scaffold to assess imidazoline molecules as D-2-like dopamine receptor ligands. Conservative chemical modifications of the lead structure, such as the introduction of an hydroxy group in the aromatic ring alone or associated with N-benzyl substitution, provided partial (3f) or nearly full (3e and 3h) agonists, all endowed with D-2-like potency comparable to that of dopamine. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.08.005