4-[1-(Diethylamino)ethyl]phenol | 865874-28-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[1-(Diethylamino)ethyl]phenol
• 英文别名: 4-[1-(diethylamino)ethyl]phenol
• CAS: 865874-28-8
• 化学式: C₁₂H₁₉NO
• 分子量: 193.289
• InChiKey: SBDWPZDLOKZPJV-UHFFFAOYSA-N

物化性质

• 沸点：
  268.4±15.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[1-(Diethylamino)ethyl]phenol 、 2-溴-5,6-二甲氧基-1-茚酮 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 2-[4-(1-Diethylamino-ethyl)-phenoxy]-5,6-dimethoxy-indan-1-one
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors

  摘要：

  A series of 2-phenoxy-indan-1-one derivatives have been designed, synthesized, and tested as acetylcholinesterase inhibitors. The most potent compound exhibited high AChE inhibitory activity (IC50 = 50 nM), and the molecular docking study indicated that it was nicely accommodated by AChE. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.132
• 作为产物：
  描述：

  diethyl(1-anisylethyl)amine 在 氢溴酸 作用下， 生成 4-[1-(Diethylamino)ethyl]phenol
  参考文献：
  名称：

  Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors

  摘要：

  A series of 2-phenoxy-indan-1-one derivatives have been designed, synthesized, and tested as acetylcholinesterase inhibitors. The most potent compound exhibited high AChE inhibitory activity (IC50 = 50 nM), and the molecular docking study indicated that it was nicely accommodated by AChE. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.132

文献信息

• Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors
  作者：Rong Sheng、Xiao Lin、Jingya Li、Yanke Jiang、Zhicai Shang、Yongzhou Hu

  DOI：10.1016/j.bmcl.2005.05.132

  日期：2005.9

  A series of 2-phenoxy-indan-1-one derivatives have been designed, synthesized, and tested as acetylcholinesterase inhibitors. The most potent compound exhibited high AChE inhibitory activity (IC50 = 50 nM), and the molecular docking study indicated that it was nicely accommodated by AChE. (c) 2005 Elsevier Ltd. All rights reserved.