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

文献信息

• Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: Identification of candidates for clinical development
  作者：Michael A. Letavic、Leah Aluisio、John R. Atack、Pascal Bonaventure、Nicholas I. Carruthers、Christine Dugovic、Anita Everson、Mark A. Feinstein、Ian C. Fraser、Kenway Hoey、Xiaohui Jiang、John M. Keith、Tatiana Koudriakova、Perry Leung、Brian Lord、Timothy W. Lovenberg、Kiev S. Ly、Kirsten L. Morton、S. Timothy Motley、Diane Nepomuceno、Michele Rizzolio、Raymond Rynberg、Kia Sepassi、Jonathan Shelton

  DOI：10.1016/j.bmcl.2010.05.041

  日期：2010.7

  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.