4-[4-(Oxiran-2-ylmethyl)piperazin-1-yl]phenol | 1026527-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[4-(Oxiran-2-ylmethyl)piperazin-1-yl]phenol
• CAS: 1026527-80-9
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: OZFKLSMQWRGQRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  39.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium cyanamide 、 4-[4-(Oxiran-2-ylmethyl)piperazin-1-yl]phenol 以 甲醇 为溶剂， 反应 24.0h， 以28%的产率得到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 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 39.0h， 生成 4-[4-(Oxiran-2-ylmethyl)piperazin-1-yl]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

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.