5-[(1-pyridyl-4-piperazinyl)methyl]-2-amino-2-oxazoline | 120182-07-2

• 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: 5-[(1-pyridyl-4-piperazinyl)methyl]-2-amino-2-oxazoline
• 英文别名: 4,5-Dihydro-5-((4-(2-pyridinyl)-1-piperazinyl)methyl)-2-oxazolamine；5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
• CAS: 120182-07-2
• 化学式: C₁₃H₁₉N₅O
• 分子量: 261.327
• InChiKey: FDMZYWCLSJXOCU-UHFFFAOYSA-N

物化性质

• 熔点：
  161 °C
• 沸点：
  438.4±55.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  19
• 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：
  67
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 5-[(1-pyridyl-4-piperazinyl)methyl]-2-amino-2-oxazoline 反应 2.0h， 以39%的产率得到N-[3-Acetyl-5-(4-pyridin-2-yl-piperazin-1-ylmethyl)-oxazolidin-(2E)-ylidene]-acetamide
  参考文献：
  名称：

  Synthesis and psychotrope evaluation of new 3-ureidopropan-2-ols using the skin conductance reaction (SCR)-habituation test

  摘要：

  The syntheses of 1-substituted 3-ureidopropan-2-ols 2 and 3-acetyl-5-(1-phenyl-4-piperazinyl)methy 5 from the corresponding 2-amino-2 oxazolines 1 are described. Some of these compounds have been investigated for psychotropic activity in mice using the skin conductance reaction (SCR)-habituation test. All the compounds produced a delay in habituation. The standard delaying dose (SDD 150) that delays SCR extinction until 150 100ths of an hour (+50% control time) was compared with that of the reference drug fenozolone for all the compounds.

  DOI：

  10.1016/0223-5234(94)90134-1
• 作为产物：
  描述：

  1-Chloro-3-(4-pyridin-2-yl-piperazin-1-yl)-propan-2-ol 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 39.0h， 生成 5-[(1-pyridyl-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

• JARRY, C.;BOSC, J. -J.
  作者：JARRY, C.、BOSC, J. -J.

  DOI：——

  日期：——