1-(Oxiran-2-ylmethyl)-4-(4-propoxyphenyl)piperazine | 1026216-19-2

• 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: 1-(Oxiran-2-ylmethyl)-4-(4-propoxyphenyl)piperazine
• CAS: 1026216-19-2
• 化学式: C₁₆H₂₄N₂O₂
• 分子量: 276.379
• InChiKey: VAXJUPZTVYKLOK-UHFFFAOYSA-N

物化性质

• 沸点：
  420.4±40.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium cyanamide 、 1-(Oxiran-2-ylmethyl)-4-(4-propoxyphenyl)piperazine 以 甲醇 为溶剂， 反应 24.0h， 以25%的产率得到5-[[4-(4-丙氧基苯基)哌嗪-1-基]甲基]-4,5-二氢-1,3-恶唑-2-胺
  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-Chloro-3-[4-(4-propoxyphenyl)piperazin-1-yl]propan-2-ol 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 15.0h， 生成 1-(Oxiran-2-ylmethyl)-4-(4-propoxyphenyl)piperazine
  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.