1,3-双-[4-(3-氯苯基)哌嗪-1-基]丙烷 | 6323-09-7

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1,3-双-[4-(3-氯苯基)哌嗪-1-基]丙烷
• 中文别名: 曲唑酮杂质H
• 英文名称: 1,3-bis-[4-(3-chloro-phenyl)-piperazino]-propane
• 英文别名: 1,3-Bis-[4-(3-chlor-phenyl)-piperazino]-propan；1,3-Bis-(4-(3-chlorophenyl)piperazin-1-yl)propane；1-(3-chlorophenyl)-4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperazine
• CAS: 6323-09-7
• 化学式: C₂₃H₃₀Cl₂N₄
• 分子量: 433.424
• InChiKey: WWXDTRQIBDUJET-UHFFFAOYSA-N

物化性质

• 熔点：
  69 - 70°C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-溴-3-氯丙烷 、 1-(3-氯苯基)哌嗪 在 sodium carbonate 作用下， 生成 1,3-双-[4-(3-氯苯基)哌嗪-1-基]丙烷
  参考文献：
  名称：

  Derivatives of Piperazine. XXXIV. Some Reactions of Trimethylene Chlorobromide with 1-Arylpiperazines

  摘要：

  DOI：

  10.1021/jo01088a009

文献信息

• Synthesis of new 1,2,3-benzotriazin-4-one-arylpiperazine derivatives as 5-HT 1A serotonin receptor ligands
  作者：Giuseppe Caliendo、Ferdinando Fiorino、Paolo Grieco、Elisa Perissutti、Vincenzo Santagada、Beatrice Severino、Giancarlo Bruni、Maria Rosaria Romeo

  DOI：10.1016/s0968-0896(00)00004-3

  日期：2000.3

  A series of novel 1,2,3-benzotriazin-4-one derivatives was prepared and evaluated as ligands for 5-HT receptors. Radioligand binding assays proved that the majority of the novel compounds behaved as good to excellent ligands at the 5-HT1A receptor, some of which were selective with respect 5-HT2A and 5-HT2C receptors. Six analogues (1a, 2a, 2b, 2c, 2e and 2i) were selected and further evaluated for their binding affinities on D-1, D-2 dopaminergic and alpha(1)-, alpha(2)-adrenergic receptors. A o-OCH3 derivative (2e) bound at 5-HT1A sites with subnanomolar affinity (IC50 = 0.059 nM) and shows high selectivity over all considered receptors and may offer a new lead for the development of therapeutically efficacious agents. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Derivatives of Piperazine. XXXIV. Some Reactions of Trimethylene Chlorobromide with 1-Arylpiperazines
  作者：C. B. POLLARD、WERNER M. LAUTER、NOEL O. NUESSLE

  DOI：10.1021/jo01088a009

  日期：1959.6