(2-benzofuran-2-yl-ethyl)-dimethyl-amine | 1186219-57-7

• 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-benzofuran-2-yl-ethyl)-dimethyl-amine
• 英文别名: 2-(1-benzofuran-2-yl)-N,N-dimethylethanamine
• CAS: 1186219-57-7
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: NRFCPRKVKQIWCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  16.38
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (2-benzofuran-2-yl-ethyl)-dimethyl-amine 在 溴 作用下， 以 氯仿 为溶剂， 以67%的产率得到[2-(3-bromo-benzofuran-2-yl)-ethyl]dimethyl-amine
  参考文献：
  名称：

  Characterization of Novel Selective H₁-Antihistamines for Clinical Evaluation in the Treatment of Insomnia

  摘要：

  Analogues of the known H-1-antihistamine R-dimethindene were profiled as potential agents for the treatment of insomnia. Several highly selective compounds were efficacious in rodent sleep models. On the basis of overall profile, indene 1d and benzothiophene 2a had pharmacokinetic properties suitable for evaluation in night time dosing. Compound 2a did not show an in vivo cardiovascular effect from weak hERG channel inhibition.

  DOI：

  10.1021/jm900933k
• 作为产物：
  描述：

  2,3-苯并呋喃 、 2-溴-N,N-二甲基乙胺氢溴酸盐 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以62%的产率得到(2-benzofuran-2-yl-ethyl)-dimethyl-amine
  参考文献：
  名称：

  Characterization of Novel Selective H₁-Antihistamines for Clinical Evaluation in the Treatment of Insomnia

  摘要：

  Analogues of the known H-1-antihistamine R-dimethindene were profiled as potential agents for the treatment of insomnia. Several highly selective compounds were efficacious in rodent sleep models. On the basis of overall profile, indene 1d and benzothiophene 2a had pharmacokinetic properties suitable for evaluation in night time dosing. Compound 2a did not show an in vivo cardiovascular effect from weak hERG channel inhibition.

  DOI：

  10.1021/jm900933k