1-(4-Chlor-phenyl)-4-cyanmethyl-piperazin | 91494-88-1

• 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-(4-Chlor-phenyl)-4-cyanmethyl-piperazin
• 英文别名: 1-Cyanmethyl-4-(4-chlor-phenyl)-piperazin；[4-(4-chloro-phenyl)-piperazin-1-yl]-acetonitrile；2-[4-(4-Chlorophenyl)piperazin-1-yl]acetonitrile
• CAS: 91494-88-1
• 化学式: C₁₂H₁₄ClN₃
• mdl: MFCD09959869
• 分子量: 235.716
• InChiKey: UHLXRDKLCQLGBB-UHFFFAOYSA-N

物化性质

• 沸点：
  393.0±42.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  30.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)哌嗪 、 氯乙腈 在 potassium carbonate 作用下， 反应 18.0h， 生成 1-(4-Chlor-phenyl)-4-cyanmethyl-piperazin
  参考文献：
  名称：

  4-bromo-1-methoxy-N-[2-(4-aryl-1-piperazinyl)ethyl]-2-naphthalenecarboxamides: Selective dopamine D3 receptor partial agonists

  摘要：

  A series of 4-bromo-1-methoxy-N-[2-(4-aryl-1-piperazinyl)ethyl]-2-naphthalenecarboxamide dopamine (DA) D-3 receptor agonists has been identified. These compounds were found to be selective for DA D-3 over D-2 receptors and were shown to be partial to full agonists as measured by stimulation of mitogenesis in D-3-transfected CHO p-5 cells. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00231-4

文献信息

• 4-bromo-1-methoxy-N-[2-(4-aryl-1-piperazinyl)ethyl]-2-naphthalenecarboxamides: Selective dopamine D3 receptor partial agonists
  作者：Shelly A. Glase、Hyacinth C. Akunne、Thomas G. Heffner、Stephen J. Johnson、Suzanne R. Kesten、Robert G. MacKenzie、Peter J. Manley、Thomas A. Pugsley、Jon L. Wright、Lawrence D. Wise

  DOI：10.1016/0960-894x(96)00231-4

  日期：1996.6

  A series of 4-bromo-1-methoxy-N-[2-(4-aryl-1-piperazinyl)ethyl]-2-naphthalenecarboxamide dopamine (DA) D-3 receptor agonists has been identified. These compounds were found to be selective for DA D-3 over D-2 receptors and were shown to be partial to full agonists as measured by stimulation of mitogenesis in D-3-transfected CHO p-5 cells. Copyright (C) 1996 Elsevier Science Ltd