Dimethyl-[4-(4-oxiranylmethyl-piperazin-1-yl)-phenyl]-amine

• 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: Dimethyl-[4-(4-oxiranylmethyl-piperazin-1-yl)-phenyl]-amine
• 英文别名: N,N-dimethyl-4-[4-(oxiran-2-ylmethyl)piperazin-1-yl]aniline
• 化学式: C₁₅H₂₃N₃O
• 分子量: 261.367
• InChiKey: JTUQAZRPLNPILC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  22.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  sodium cyanamide 、 Dimethyl-[4-(4-oxiranylmethyl-piperazin-1-yl)-phenyl]-amine 以 甲醇 为溶剂， 反应 24.0h， 以21%的产率得到5-[[4-(4-二甲基氨基苯基)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：

  N,N-二甲基-4-(1-哌嗪)苯胺 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 39.0h， 生成 Dimethyl-[4-(4-oxiranylmethyl-piperazin-1-yl)-phenyl]-amine
  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.