3-Bromo-2-(2-methylphenoxy)pyridine | 1215809-15-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Bromo-2-(2-methylphenoxy)pyridine
• CAS: 1215809-15-6
• 化学式: C₁₂H₁₀BrNO
• 分子量: 264.121
• InChiKey: UDCLNVZFEIAUIX-UHFFFAOYSA-N

物化性质

• 沸点：
  305.1±32.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3.6-二氢-2H-吡啶-1-叔丁氧羰基-4-硼酸新戊二醇酯 、 3-Bromo-2-(2-methylphenoxy)pyridine 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 cesium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 C₂₂H₂₆N₂O₃
  参考文献：
  名称：

  Design, synthesis, and pharmacological evaluation of phenoxy pyridyl derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists

  摘要：

  Preclinical studies suggest that compounds with dual norepinephrine reuptake inhibitor (NRI) and 5-HT1A partial agonist properties may provide an important new therapeutic approach to ADHD, depression, and anxiety. Reported herein is the discovery of a novel chemical series with a favorable NRI and 5-HT1A partial agonist pharmacological pro. le as well as excellent selectivity for the norepinephrine transporter over the dopamine transporter. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.023
• 作为产物：
  描述：

  3-溴-2-氯吡啶 、 邻甲酚 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 3-Bromo-2-(2-methylphenoxy)pyridine
  参考文献：
  名称：

  Design, synthesis, and pharmacological evaluation of phenoxy pyridyl derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists

  摘要：

  Preclinical studies suggest that compounds with dual norepinephrine reuptake inhibitor (NRI) and 5-HT1A partial agonist properties may provide an important new therapeutic approach to ADHD, depression, and anxiety. Reported herein is the discovery of a novel chemical series with a favorable NRI and 5-HT1A partial agonist pharmacological pro. le as well as excellent selectivity for the norepinephrine transporter over the dopamine transporter. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.023