5-bromo-4-(dimethoxymethyl)-2-((1-isopropylpiperidin-4-yl)methoxy)pyridine | 939774-08-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-bromo-4-(dimethoxymethyl)-2-((1-isopropylpiperidin-4-yl)methoxy)pyridine
• CAS: 939774-08-0
• 化学式: C₁₇H₂₇BrN₂O₃
• 分子量: 387.317
• InChiKey: JGPQQSJZCFLJGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.63
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.82
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-bromo-4-(dimethoxymethyl)-2-((1-isopropylpiperidin-4-yl)methoxy)pyridine 在 盐酸 、 sodium tetrahydroborate 、 正丁基锂 、 锌 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 21.0h， 生成 4-(3,4-dichloro-phenyl)-7-(1-isopropyl-piperidin-4-ylmethoxy)-2-methyl-1,2,3,4-tetrahydro-[2,6]naphthyridine
  参考文献：
  名称：

  Novel naphthyridines are histamine H3 antagonists and serotonin reuptake transporter inhibitors

  摘要：

  A series of novel tetrahydronaphthyridine-based histamine H-3 ligands that have serotonin reuptake transporter inhibitor activity is described. The 1,2,3,4-tetrahydro-2,6-naphthyridine scaffold is assembled via the addition of a nitrostyrene to a metalated pyridine followed by reduction and cyclization to form the naphthyridine. In vitro biological data for these novel compounds are discussed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.006
• 作为产物：
  描述：

  甲醇 、 在 硫酸 作用下， 反应 18.0h， 生成 5-bromo-4-(dimethoxymethyl)-2-((1-isopropylpiperidin-4-yl)methoxy)pyridine
  参考文献：
  名称：

  Novel naphthyridines are histamine H3 antagonists and serotonin reuptake transporter inhibitors

  摘要：

  A series of novel tetrahydronaphthyridine-based histamine H-3 ligands that have serotonin reuptake transporter inhibitor activity is described. The 1,2,3,4-tetrahydro-2,6-naphthyridine scaffold is assembled via the addition of a nitrostyrene to a metalated pyridine followed by reduction and cyclization to form the naphthyridine. In vitro biological data for these novel compounds are discussed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.006