3-(bromomethyl)-2-phenoxypyridine | 1092502-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(bromomethyl)-2-phenoxypyridine
• 英文别名: 3-(Bromomethyl)-2-phenoxypyridine
• CAS: 1092502-79-8
• 化学式: C₁₂H₁₀BrNO
• 分子量: 264.121
• InChiKey: XWYPCYCRQQBDSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  3
• 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-(bromomethyl)-2-phenoxypyridine 、 2-[4-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1,4-diazepan-1-yl]ethanol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以10%的产率得到1-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-(2-((2-phenoxypyridin-3-yl)methoxy)ethyl)-1,4-diazepane
  参考文献：
  名称：

  Identification and SAR around N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, a selective α2C adrenergic receptor antagonist

  摘要：

  The discovery of the CNS-penetrant and selective alpha(2C) adrenergic receptor antagonist N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, 13 is described. Structure - activity studies demonstrate the structural requirements for binding affinity, functional activity, and selectivity over other alpha(2)-AR subtypes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.055
• 作为产物：
  描述：

  (2-phenoxypyridin-3-yl)methanol 在 N-溴代丁二酰亚胺(NBS) 作用下， 以47%的产率得到3-(bromomethyl)-2-phenoxypyridine
  参考文献：
  名称：

  Identification and SAR around N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, a selective α2C adrenergic receptor antagonist

  摘要：

  The discovery of the CNS-penetrant and selective alpha(2C) adrenergic receptor antagonist N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, 13 is described. Structure - activity studies demonstrate the structural requirements for binding affinity, functional activity, and selectivity over other alpha(2)-AR subtypes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.055

文献信息

• Identification and SAR around N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, a selective α2C adrenergic receptor antagonist
  作者：Snahel D. Patel、Wendy M. Habeski、Hyunsuk Min、Jiansu Zhang、Robin Roof、Bradley Snyder、Gary Bora、Brian Campbell、Cheryl Li、Debra Hidayetoglu、Douglas S. Johnson、Archana Chaudhry、Maura E. Charlton、Natasha M. Kablaoui

  DOI：10.1016/j.bmcl.2008.08.055

  日期：2008.10

  The discovery of the CNS-penetrant and selective alpha(2C) adrenergic receptor antagonist N-2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, 13 is described. Structure - activity studies demonstrate the structural requirements for binding affinity, functional activity, and selectivity over other alpha(2)-AR subtypes. (C) 2008 Elsevier Ltd. All rights reserved.