4-Bromo-2-(piperidin-1-ylmethyl)pyridine | 956593-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-Bromo-2-(piperidin-1-ylmethyl)pyridine
• 英文别名: 4-bromo-2-(piperidin-1-ylmethyl)pyridine
• CAS: 956593-44-5
• 化学式: C₁₁H₁₅BrN₂
• 分子量: 255.157
• InChiKey: DFJPINCQRMDOCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-4-(4-methylsulfanyl-phenyl)-1,2,3,4-tetrahydro-isoquinolin-7-ol 、 4-Bromo-2-(piperidin-1-ylmethyl)pyridine 在 caesium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 2.0h， 生成 2-methyl-4-[4-(methylsulfanyl)phenyl]-7-[2-(piperidin-1-ylmethyl)pyridin-4-yloxy]-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Dual serotonin transporter inhibitor/histamine H3 antagonists: Development of rigidified H3 pharmacophores

  摘要：

  A series of tetrahydroisoquinolines acting as dual serotonin transporter inhibitor/histamine H-3 antagonists is described. The introduction of polar aromatic spacers as part of the histamine H-3 pharmacophore was explored. A convergent synthesis of the final products allowing late stage introduction of the aromatic side chain was developed. In vitro and in vivo data are discussed. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.017
• 作为产物：
  描述：

  哌啶 、 4-溴吡啶-2-甲醛 生成 4-Bromo-2-(piperidin-1-ylmethyl)pyridine
  参考文献：
  名称：

  Dual serotonin transporter inhibitor/histamine H3 antagonists: Development of rigidified H3 pharmacophores

  摘要：

  A series of tetrahydroisoquinolines acting as dual serotonin transporter inhibitor/histamine H-3 antagonists is described. The introduction of polar aromatic spacers as part of the histamine H-3 pharmacophore was explored. A convergent synthesis of the final products allowing late stage introduction of the aromatic side chain was developed. In vitro and in vivo data are discussed. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.017