3-[1-(morpholin-4-yl)ethyl]phenol | 862423-59-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-[1-(morpholin-4-yl)ethyl]phenol
• 英文别名: 3-(1-morpholinoethyl)phenol；3-(1-Morpholin-4-ylethyl)phenol；3-(1-morpholin-4-ylethyl)phenol
• CAS: 862423-59-4
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: VAYIOMROPMJPEH-UHFFFAOYSA-N

物化性质

• 熔点：
  119-121 °C
• 沸点：
  327.0±27.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[1-(morpholin-4-yl)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 5,6-Dimethoxy-2-[3-(1-morpholin-4-yl-ethyl)-phenoxy]-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：

  1-(1-氯乙基)-3-甲氧基苯 在 氢溴酸 作用下， 生成 3-[1-(morpholin-4-yl)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 galanthamine derivatives as acetylcholinesterase inhibitors
  作者：Ping Jia、Rong Sheng、Jing Zhang、Liang Fang、Qiaojun He、Bo Yang、Yongzhou Hu

  DOI：10.1016/j.ejmech.2008.04.018

  日期：2009.2

  A new series of galanthamine derivatives have been designed, synthesized and evaluated as acetylcholinesterase inhibitors. All of the new compounds prepared showed high AChE inhibitory activities, with compound 3e that has an N-hexyl-benzyl piperidine substituent on the nitrogen atom reaching the best inhibitory activity for AChE (IC50 = 5.62 nM). The docking study performed with AutoDock demonstrated that 3e was nicely accommodated by AChE. (c) 2008 Elsevier Masson SAS. All rights reserved.
• 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.