2-fluoro-4-<2-<<2-(4-fluorophenyl)ethyl>oxy>ethoxy>phenol | 81227-92-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-fluoro-4-<2-<<2-(4-fluorophenyl)ethyl>oxy>ethoxy>phenol
• 英文别名: 2-fluoro-4-[2-(4-fluorophenethyloxy)ethoxy]phenol；2-fluoro-4-(2-{[2-(4-fluorophenyl)ethyl]oxy}ethoxy)phenol；2-Fluoro-4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenol
• CAS: 81227-92-1
• 化学式: C₁₆H₁₆F₂O₃
• 分子量: 294.298
• InChiKey: CAVDZHZWMXQOOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-fluoro-4-<2-<<2-(4-fluorophenyl)ethyl>oxy>ethoxy>phenol 在 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 18.58h， 生成 1-[2-fluoro-4-[2-(4-fluorophenethyloxy)ethoxy]phenoxy]-3-isopropylamino-2-propanol
  参考文献：
  名称：

  .beta.1-Selective adrenoceptor antagonists. 2. 4-Ether-linked phenoxypropanolamines

  摘要：

  A series of 4-substituted phenoxypropanolamines was prepared and examined for beta-adrenoceptor activity. Some of the compounds, especially the [4-[2-[[2-(4-fluorophenyl)ethyl] oxy]ethoxy]phenoxy]propanolamines (14, 15, and 24), showed potent beta 1-blockade with virtually no beta 2-blockade at doses over a 1000 times greater. The compounds also possessed partial agonist activity. Structure-activity relationships are discussed, and conclusions are drawn about the binding sites on beta-adrenoceptors.

  DOI：

  10.1021/jm00365a005
• 作为产物：
  描述：

  对氟苯乙醇 在 palladium on activated charcoal 吡啶 、 lithium aluminium tetrahydride 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.42h， 生成 2-fluoro-4-<2-<<2-(4-fluorophenyl)ethyl>oxy>ethoxy>phenol
  参考文献：
  名称：

  .beta.1-Selective adrenoceptor antagonists. 2. 4-Ether-linked phenoxypropanolamines

  摘要：

  A series of 4-substituted phenoxypropanolamines was prepared and examined for beta-adrenoceptor activity. Some of the compounds, especially the [4-[2-[[2-(4-fluorophenyl)ethyl] oxy]ethoxy]phenoxy]propanolamines (14, 15, and 24), showed potent beta 1-blockade with virtually no beta 2-blockade at doses over a 1000 times greater. The compounds also possessed partial agonist activity. Structure-activity relationships are discussed, and conclusions are drawn about the binding sites on beta-adrenoceptors.

  DOI：

  10.1021/jm00365a005

文献信息

• MACHIN, P. J.;HURST, D. N.;BRADSHAW, R. M.;BLABER, L. C.;BURDEN, D. T.;FR+, J. MED. CHEM., 1983, 26, N 11, 1570-1576
  作者：MACHIN, P. J.、HURST, D. N.、BRADSHAW, R. M.、BLABER, L. C.、BURDEN, D. T.、FR+

  DOI：——

  日期：——
• Substituierte Phenoxy-aminopropanol-Derivate, Zwischenprodukte und Verfahren zu ihrer Herstellung sowie diese enthaltende Arzneimittel
  申请人：F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft

  公开号：EP0041233B1

  公开（公告）日：1984-02-15
• US4649160A
  申请人：——

  公开号：US4649160A

  公开（公告）日：1987-03-10
• .beta.1-Selective adrenoceptor antagonists. 2. 4-Ether-linked phenoxypropanolamines
  作者：Peter J. Machin、David N. Hurst、Rachel M. Bradshaw、Leslie C. Blaber、David T. Burden、Allison D. Fryer、Rosemary A. Melarange、Celia Shivdasani

  DOI：10.1021/jm00365a005

  日期：1983.11

  A series of 4-substituted phenoxypropanolamines was prepared and examined for beta-adrenoceptor activity. Some of the compounds, especially the [4-[2-[[2-(4-fluorophenyl)ethyl] oxy]ethoxy]phenoxy]propanolamines (14, 15, and 24), showed potent beta 1-blockade with virtually no beta 2-blockade at doses over a 1000 times greater. The compounds also possessed partial agonist activity. Structure-activity relationships are discussed, and conclusions are drawn about the binding sites on beta-adrenoceptors.