5-[1-(3-methylphenyl)-4-piperazinyl]methyl-2-amino-2-oxazoline | 144881-39-0

• 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: 5-[1-(3-methylphenyl)-4-piperazinyl]methyl-2-amino-2-oxazoline
• 英文别名: 5-(M-Tolyl-4-piperazinyl)methyl-2-amino-2-oxazol；5-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
• CAS: 144881-39-0
• 化学式: C₁₅H₂₂N₄O
• 分子量: 274.366
• InChiKey: JWEZJBDBXPFITD-UHFFFAOYSA-N

物化性质

• 沸点：
  443.9±55.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  54.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(3-（甲基苯基）哌啶 以 甲醇 、 乙醇 为溶剂， 反应 36.0h， 生成 5-[1-(3-methylphenyl)-4-piperazinyl]methyl-2-amino-2-oxazoline
  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.