1-(3-Aminopropyl)-4-(2-chlorophenyl)piperidine-4-carbonitrile | 766488-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(3-Aminopropyl)-4-(2-chlorophenyl)piperidine-4-carbonitrile
• CAS: 766488-36-2
• 化学式: C₁₅H₂₀ClN₃
• 分子量: 277.797
• InChiKey: JMCYLWJBHCVSTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  53
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二(对甲苯基)乙酸 、 1-(3-Aminopropyl)-4-(2-chlorophenyl)piperidine-4-carbonitrile 在 碳酸氢钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2,2-Bis(4-methylphenyl)-N-[3-(4-{2-chlorophenyl}4-cyanopiperidine-1-yl)propyl]acetamide
  参考文献：
  名称：

  Phenylacetamides as selective α-1A adrenergic receptor antagonists

  摘要：

  A novel class of potent and selective or-la receptor antagonists has been identified. The structures of these antagonists were derived from truncating the 4-aryl dihydropyridine subunit present in known alpha-1a antagonists. The design principles which led to the discovery of substituted phenylacetamides, the synthesis and SAR of key analogues, and the results of select in vitro and in vivo studies are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00307-3
• 作为产物：
  描述：

  邻氯苯乙腈 在 盐酸 、 sodium hydride 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(3-Aminopropyl)-4-(2-chlorophenyl)piperidine-4-carbonitrile
  参考文献：
  名称：

  Phenylacetamides as selective α-1A adrenergic receptor antagonists

  摘要：

  A novel class of potent and selective or-la receptor antagonists has been identified. The structures of these antagonists were derived from truncating the 4-aryl dihydropyridine subunit present in known alpha-1a antagonists. The design principles which led to the discovery of substituted phenylacetamides, the synthesis and SAR of key analogues, and the results of select in vitro and in vivo studies are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00307-3