5-(1-(3,4-dichlorophenyl)-2-nitroethyl)-4-(dimethoxymethyl)-2-(3-(piperidin-1-yl)propoxy)pyridine | 939774-10-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(1-(3,4-dichlorophenyl)-2-nitroethyl)-4-(dimethoxymethyl)-2-(3-(piperidin-1-yl)propoxy)pyridine
• CAS: 939774-10-4
• 化学式: C₂₄H₃₁Cl₂N₃O₅
• 分子量: 512.433
• InChiKey: NCIYMVXXCFRHLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.34
• 重原子数：
  34.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  86.96
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5-(1-(3,4-dichlorophenyl)-2-nitroethyl)-4-(dimethoxymethyl)-2-(3-(piperidin-1-yl)propoxy)pyridine 在 盐酸 、 sodium tetrahydroborate 、 锌 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 20.0h， 生成 4-(3,4-dichloro-phenyl)-2-methyl-7-(3-piperidin-1-yl-propoxy)-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：

  5-bromo-4-dimethoxymethyl-2-(3-piperidin-1-yl-propoxy)-pyridine 、 1,2-dichloro-4-(2-nitrovinyl)benzene 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 5-(1-(3,4-dichlorophenyl)-2-nitroethyl)-4-(dimethoxymethyl)-2-(3-(piperidin-1-yl)propoxy)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