2-(1-ethyl-1H-pyrrol-2-yl)aniline | 305811-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-(1-ethyl-1H-pyrrol-2-yl)aniline
• 英文别名: 2-(1-Ethylpyrrol-2-yl)aniline
• CAS: 305811-29-4
• 化学式: C₁₂H₁₄N₂
• 分子量: 186.257
• InChiKey: RVXVRSJTCDFYCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  31
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-氯甲基咪唑啉盐酸盐 、 2-(1-ethyl-1H-pyrrol-2-yl)aniline 在 苯酚 作用下， 以 乙醇 为溶剂， 生成 N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethyl-1H-pyrrol-2-yl)aniline
  参考文献：
  名称：

  2-(Anilinomethyl)imidazolines as α1 adrenergic receptor agonists: α1a subtype selective 2′-heteroaryl compounds

  摘要：

  The structure-activity relationship of 2'-pyrrole, pyrazole and triazole substituted 2-(anilinomethyl)imidazolines as alpha(1) adrenergic agonists was investigated. The size and orientation of substituents, as well as the position of the heteroatoms, were found to have a profound effect on the potency and selectivity of the molecules. Potent alpha(1A) subtype selective agonists have been identified. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00050-7
• 作为产物：
  描述：

  1-Ethyl-2-tributylstannanyl-1H-pyrrole 在 钯 四(三苯基膦)钯 、 氢气 、 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 生成 2-(1-ethyl-1H-pyrrol-2-yl)aniline
  参考文献：
  名称：

  2-(Anilinomethyl)imidazolines as α1 adrenergic receptor agonists: α1a subtype selective 2′-heteroaryl compounds

  摘要：

  The structure-activity relationship of 2'-pyrrole, pyrazole and triazole substituted 2-(anilinomethyl)imidazolines as alpha(1) adrenergic agonists was investigated. The size and orientation of substituents, as well as the position of the heteroatoms, were found to have a profound effect on the potency and selectivity of the molecules. Potent alpha(1A) subtype selective agonists have been identified. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00050-7

文献信息

• US6884801B1
  申请人：——

  公开号：US6884801B1

  公开（公告）日：2005-04-26