α-<<<2-<4-(benzyloxy)phenyl>ethyl>oxy>methyl>benzyl alcohol | 86902-25-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: α-<<<2-<4-(benzyloxy)phenyl>ethyl>oxy>methyl>benzyl alcohol
• 英文别名: α-[({2-[4-(benzyloxy)phenyl]ethyl}oxy)methyl]benzyl alcohol；1-phenyl-2-[2-(4-phenylmethoxyphenyl)ethoxy]ethanol
• CAS: 86902-25-2
• 化学式: C₂₃H₂₄O₃
• 分子量: 348.442
• InChiKey: LOGNMMIOJJLYRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  26.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  α-<<<2-<4-(benzyloxy)phenyl>ethyl>oxy>methyl>benzyl alcohol 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 18.58h， 生成 1-[4-[2-(2-Phenylethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
  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-<4-(benzyloxy)phenyl>ethyl>oxy>acetophenone 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以100%的产率得到α-<<<2-<4-(benzyloxy)phenyl>ethyl>oxy>methyl>benzyl alcohol
  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：——