1-(6-bromohexyl)-4-m-tolylpiperazine | 1228436-20-1

• 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-(6-bromohexyl)-4-m-tolylpiperazine
• 英文别名: 1-(6-Bromohexyl)-4-(3-methylphenyl)piperazine
• CAS: 1228436-20-1
• 化学式: C₁₇H₂₇BrN₂
• 分子量: 339.319
• InChiKey: NODPNPGKPKYDNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-吡啶基)哌嗪 、 1-(6-bromohexyl)-4-m-tolylpiperazine 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以68%的产率得到1-(pyridin-2-yl)-4-(6-(4-m-tolylpiperazin-1-yl)hexyl)piperazine
  参考文献：
  名称：

  Discovery of Bishomo(hetero)arylpiperazines as Novel Multifunctional Ligands Targeting Dopamine D₃ and Serotonin 5-HT_1A and 5-HT_2A Receptors

  摘要：

  As a continuation of our efforts to develop innovative ligands for D-3, 5-HT1A, and 5-HT2A receptors with low propensity to block hERG channels, we propose a series bishetero(homo)arylpiperazines 5a-m as novel and potent multifunctional ligands characterized by low occupancy at D-2 and 5-HT2C receptors.

  DOI：

  10.1021/jm100294b
• 作为产物：
  描述：

  1,6-二溴己烷 、 1-(m-tolyl)piperazine hydrochloride 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以60%的产率得到1-(6-bromohexyl)-4-m-tolylpiperazine
  参考文献：
  名称：

  Discovery of Bishomo(hetero)arylpiperazines as Novel Multifunctional Ligands Targeting Dopamine D₃ and Serotonin 5-HT_1A and 5-HT_2A Receptors

  摘要：

  As a continuation of our efforts to develop innovative ligands for D-3, 5-HT1A, and 5-HT2A receptors with low propensity to block hERG channels, we propose a series bishetero(homo)arylpiperazines 5a-m as novel and potent multifunctional ligands characterized by low occupancy at D-2 and 5-HT2C receptors.

  DOI：

  10.1021/jm100294b

文献信息

• Discovery of Bishomo(hetero)arylpiperazines as Novel Multifunctional Ligands Targeting Dopamine D₃ and Serotonin 5-HT_1A and 5-HT_2A Receptors
  作者：Stefania Butini、Giuseppe Campiani、Silvia Franceschini、Francesco Trotta、Vinod Kumar、Egeria Guarino、Giuseppe Borrelli、Isabella Fiorini、Ettore Novellino、Caterina Fattorusso、Marco Persico、Nausicaa Orteca、Karin Sandager-Nielsen、Thomas Amos Jacobsen、Kim Madsen、Jorgen Scheel-Kruger、Sandra Gemma

  DOI：10.1021/jm100294b

  日期：2010.6.24

  As a continuation of our efforts to develop innovative ligands for D-3, 5-HT1A, and 5-HT2A receptors with low propensity to block hERG channels, we propose a series bishetero(homo)arylpiperazines 5a-m as novel and potent multifunctional ligands characterized by low occupancy at D-2 and 5-HT2C receptors.