1-Phenoxy-3-(2-phenoxyethylamino)propan-2-ol | 64463-54-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-Phenoxy-3-(2-phenoxyethylamino)propan-2-ol
• CAS: 64463-54-3
• 化学式: C₁₇H₂₁NO₃
• 分子量: 287.359
• InChiKey: LRHNPARCJNWBHD-UHFFFAOYSA-N

物化性质

• 熔点：
  115-117 °C
• 沸点：
  461.6±40.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  50.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Phenoxy-3-(2-phenoxyethylamino)propan-2-ol 以77%的产率得到
  参考文献：
  名称：

  SMITH L. H.; TUCKER H., J. MED. CHEM. , 1977, 20, NO 12, 1653-1656

  摘要：

  DOI：
• 作为产物：
  描述：

  苯基缩水甘油醚 、 2-苯氧基乙胺盐酸盐 在 sodium hydroxide 作用下， 以 丙醇 为溶剂， 生成 1-Phenoxy-3-(2-phenoxyethylamino)propan-2-ol
  参考文献：
  名称：

  .beta.-Adrenergic blocking agents. 17. 1-Phenoxy-3-phenoxyalkylamino-2-propanols and 1-alkoxyalkylamino-3-phenoxy-2-propanols

  摘要：

  The synthesis is described of a series of derivatives of 1-phenoxy-3-phenoxyalkylamino-2-propanols and 1-alkoxyalkylamino-3-phenoxy-2-propranols. The compounds were investigated for their beta-adrenoceptor blocking properties and many showed a surprising degree of cardioselectivity when tested in vivo in anesthetized cats for their effects on an isoproterenol-induced tachycardia and depressor response. The structure-activity relationship shown by this series of compounds is related to that of known cardioselective analogues and a possible reason for their cardioselectivity is discussed.

  DOI：

  10.1021/jm00222a022

文献信息

• 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0426804B1

  公开（公告）日：1994-01-19
• COMPOUNDS
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0426804A1

  公开（公告）日：1991-05-15
• .beta.-Adrenergic blocking agents. 17. 1-Phenoxy-3-phenoxyalkylamino-2-propanols and 1-alkoxyalkylamino-3-phenoxy-2-propanols
  作者：L. H. Smith、H. Tucker

  DOI：10.1021/jm00222a022

  日期：1977.12

  The synthesis is described of a series of derivatives of 1-phenoxy-3-phenoxyalkylamino-2-propanols and 1-alkoxyalkylamino-3-phenoxy-2-propranols. The compounds were investigated for their beta-adrenoceptor blocking properties and many showed a surprising degree of cardioselectivity when tested in vivo in anesthetized cats for their effects on an isoproterenol-induced tachycardia and depressor response. The structure-activity relationship shown by this series of compounds is related to that of known cardioselective analogues and a possible reason for their cardioselectivity is discussed.
• SMITH L. H.; TUCKER H., J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 12, 1653-1656
  作者：SMITH L. H.、 TUCKER H.

  DOI：——

  日期：——