(3-(6-(哌啶-1-甲基)吡啶-2-基氧基)苯基)甲醇 | 956593-39-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (3-(6-(哌啶-1-甲基)吡啶-2-基氧基)苯基)甲醇
• 英文名称: (3-(6-(Piperidin-1-ylmethyl)pyridin-2-yloxy)phenyl)methanol
• 英文别名: [3-[6-(piperidin-1-ylmethyl)pyridin-2-yl]oxyphenyl]methanol
• CAS: 956593-39-8
• 化学式: C₁₈H₂₂N₂O₂
• 分子量: 298.385
• InChiKey: IWDMINVLRSOZFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  (3-(6-(哌啶-1-甲基)吡啶-2-基氧基)苯基)甲醇 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以86%的产率得到
  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：

  2-溴-6-哌啶-1-甲基吡啶 、 3-羟基苯甲醇 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 14.0h， 生成 (3-(6-(哌啶-1-甲基)吡啶-2-基氧基)苯基)甲醇
  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

文献信息

• Dual serotonin transporter inhibitor/histamine H3 antagonists: Development of rigidified H3 pharmacophores
  作者：John M. Keith、Ann J. Barbier、Sandy J. Wilson、Kirstin Miller、Jamin D. Boggs、Ian C. Fraser、Curt Mazur、Timothy W. Lovenberg、Nicholas I. Carruthers

  DOI：10.1016/j.bmcl.2007.08.017

  日期：2007.10

  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.