4-(4-(3-氯-2-羟丙基)哌嗪-1-基)苯酚 | 1026293-52-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-(4-(3-氯-2-羟丙基)哌嗪-1-基)苯酚
• 英文名称: 4-[4-(3-Chloro-2-hydroxypropyl)piperazin-1-yl]phenol
• CAS: 1026293-52-6
• 化学式: C₁₃H₁₉ClN₂O₂
• 分子量: 270.759
• InChiKey: KKZGSZHJSBYMRU-UHFFFAOYSA-N

物化性质

• 沸点：
  477.0±45.0 °C(Predicted)
• 密度：
  1.262±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  46.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-(3-氯-2-羟丙基)哌嗪-1-基)苯酚 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 39.0h， 生成 4-(4-((2-Amino-4,5-dihydro-5-oxazolyl)methyl)-1-piperazinyl)phenol
  参考文献：
  名称：

  Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines

  摘要：

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.

  DOI：

  10.1016/0223-5234(92)90177-3
• 作为产物：
  描述：

  1-对羟基苯基哌嗪 、 环氧氯丙烷 以 乙醇 为溶剂， 反应 24.0h， 生成 4-(4-(3-氯-2-羟丙基)哌嗪-1-基)苯酚
  参考文献：
  名称：

  Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines

  摘要：

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.

  DOI：

  10.1016/0223-5234(92)90177-3

文献信息

• Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines
  作者：JJ Bosc、C Jarry、A Carpy、E Panconi、P Descas

  DOI：10.1016/0223-5234(92)90177-3

  日期：1992.8

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.