4-(piperidin-1-ylethyl)-phenol | 862423-61-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(piperidin-1-ylethyl)-phenol
• 英文别名: 4-(1-Piperidin-1-ylethyl)phenol
• CAS: 862423-61-8
• 化学式: C₁₃H₁₉NO
• 分子量: 205.3
• InChiKey: SZGVHLIGAFXEAU-UHFFFAOYSA-N

物化性质

• 沸点：
  306.2±17.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 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-(piperidin-1-ylethyl)-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-[4-(1-piperidin-1-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)-4-甲氧基苯 在 氢溴酸 作用下， 生成 4-(piperidin-1-ylethyl)-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

• 1-(1,3-Dioxolan-2-ylmethyl)-azoles, their salts and their use
  申请人：Hoechst Aktiengesellschaft

  公开号：US04391805A1

  公开（公告）日：1983-07-05

  1-(1,3-Dioxolan-2-ylmethyl)-azoles of the general formula ##STR1## and their stereoisomers and their salts with physiologically acceptable acids, the preparation of these compounds, pharmaceutical formulations containing the latter and their use against mycoses, protozoa and Gram-positive and Gram-negative bacteria are described.

  描述了一般式为##STR1##的1-(1,3-二氧杂环戊烷-2-基甲基)-唑类化合物及其立体异构体和与生理上可接受的酸盐，这些化合物的制备，含有后者的药物配方以及其用于对抗真菌，原虫和革兰氏阳性和革兰氏阴性细菌的用途。
• 1-(1,3-Dioxolan-2-ylmethyl)-azole, ihre Salze, Verfahren zu ihrer Herstellung und ihre Verwendung
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0050298A2

  公开（公告）日：1982-04-28

  Es werden 1-(1,3-Dioxolan-2-ylmethyl)-azole der allgemeinen Formel sowie ihre Stereoisomeren und ihre Salze mit physiologisch verträglichen Säuren beschrieben, die Herstellung dieser Verbindungen, sie enthaltende pharmazeutische Zubereitungen und ihre Verwendung gegen Mykosen, Protozoen und grampositive sowie gramnegative Bakterien.

  通式为 1-(1,3-二氧戊环-2-基甲基)-唑 以及它们的立体异构体和它们与生理上相容的酸的盐，描述了这些化合物的制备方法、含有它们的药物制剂以及它们对霉菌、原生动物、革兰氏阳性和革兰氏阴性细菌的作用。
• US4391805A
  申请人：——

  公开号：US4391805A

  公开（公告）日：1983-07-05
• 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.