3-(5-Bromopyridin-2-yl)oxybenzonitrile | 1240670-81-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(5-Bromopyridin-2-yl)oxybenzonitrile
• CAS: 1240670-81-8
• 化学式: C₁₂H₇BrN₂O
• 分子量: 275.104
• InChiKey: DAMFZILDXVPHTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  366.8±32.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-异丙基哌嗪 、 3-(5-Bromopyridin-2-yl)oxybenzonitrile 、 molybdenum hexacarbonyl 在 trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 四氢呋喃 为溶剂， 反应 0.1h， 生成 3-[5-(4-Isopropyl-piperazine-1-carbonyl)-pyridin-2-yloxy]-benzonitrile
  参考文献：
  名称：

  Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: Identification of candidates for clinical development

  摘要：

  The pre-clinical characterization of novel aryloxypyridine amides that are histamine H-3 receptor antagonists is described. These compounds are high affinity histamine H-3 ligands that penetrate the CNS and occupy the histamine H-3 receptor in rat brain. Several compounds were extensively pro. led pre-clinically leading to the identification of two compounds suitable for nomination as development candidates. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.041
• 作为产物：
  描述：

  3-氰基苯酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 3-(5-Bromopyridin-2-yl)oxybenzonitrile
  参考文献：
  名称：

  Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: Identification of candidates for clinical development

  摘要：

  The pre-clinical characterization of novel aryloxypyridine amides that are histamine H-3 receptor antagonists is described. These compounds are high affinity histamine H-3 ligands that penetrate the CNS and occupy the histamine H-3 receptor in rat brain. Several compounds were extensively pro. led pre-clinically leading to the identification of two compounds suitable for nomination as development candidates. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.041