4-<2-(2-hydroxyethoxy)ethyl>benzonitrile | 86902-19-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-<2-(2-hydroxyethoxy)ethyl>benzonitrile
• 英文别名: 2-[2-(4-cyanophenyl)ethoxy]ethanol；4-[2-(2-hydroxyethoxy)ethyl]benzonitrile
• CAS: 86902-19-4
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: WWFOJNSZPAXYGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-<2-(2-hydroxyethoxy)ethyl>benzonitrile 在 吡啶 、 sodium hydride 作用下， 反应 1.08h， 生成 4-(2-{2-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenoxy]-ethoxy}-ethyl)-benzonitrile
  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：

  2-(2-苯基乙氧基)乙醇 在 palladium on activated charcoal 盐酸 、 氢气 、 硝酸 、 sodium carbonate 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 3.33h， 生成 4-<2-(2-hydroxyethoxy)ethyl>benzonitrile
  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

• New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias
  申请人：Bjore Annika

  公开号：US20090054422A1

  公开（公告）日：2009-02-26

  There is provided compounds of formula I, wherein R 1 , R 2 , R 3 , R 41 to R 46 , X, Y and Z have meanings given in the description, which compounds are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

  提供了I式化合物，其中R1、R2、R3、R41至R46、X、Y和Z的含义在说明中给出，这些化合物在预防和治疗心律失常方面特别是房性和室性心律失常方面具有用处。
• Oxabispidine compounds for the treatment of cardiac arrhythmias
  申请人：AstraZeneca AB

  公开号：US07928225B2

  公开（公告）日：2011-04-19

  There is provided compounds of formula I, wherein R1, R2, R3, R41 to R46, X, Y and Z have meanings given in the description, which compounds are useful in the prophylaxis and in the treatment of arrhythmias, in particular atrial and ventricular arrhythmias.

  提供了公式I的化合物，其中R1、R2、R3、R41至R46、X、Y和Z的含义如描述中所给出，这些化合物在预防和治疗心律失常方面有用，特别是房性和室性心律失常。
• WO2006/135316
  申请人：——

  公开号：——

  公开（公告）日：——
• 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：——
• .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.