1-(4-Ethyl-phenoxy)-3-isopropylamino-butan-2-ol | 78711-19-0

• 英文名称: 1-(4-Ethyl-phenoxy)-3-isopropylamino-butan-2-ol
• 英文别名: 1-(4-Ethylphenoxy)-3-(propan-2-ylamino)butan-2-ol
• CAS: 78711-19-0
• 化学式: C₁₅H₂₅NO₂
• 分子量: 251.369
• InChiKey: CUZFGTDGZMBXRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-乙基苯酚 、 异丙胺 、 alkaline earth salt of/the/ methylsulfuric acid 在 三氟化硼乙醚 作用下， 生成 1-(4-Ethyl-phenoxy)-3-isopropylamino-butan-2-ol 、 3-(4-Ethyl-phenoxy)-1-isopropylamino-butan-2-ol
  参考文献：
  名称：

  .beta.-Adrenergic blocking agents. .alpha.- and .gamma.-Methyl(aryloxy)propanolamines

  摘要：

  A series of gamma-methyl- (5) and alpha-methyl(aryloxy)propanolamines (6) were synthesized and evaluated for beta-adrenergic blocking action. The binding constant (KD) was determined for compounds 5a-j on cultured C6-2B astrocytoma cells. Compounds 5a-j and 6a-e were evaluated for beta 1-antagonist action on guinea pig atria and beta 2-antagonist action on guinea pig tracheal strips. Several gamma-methyl(aryloxy)propanolamines showed affinity for beta receptors and a possible preference for beta 2 receptors.

  DOI：

  10.1021/jm00142a017