1-(tert-butylamino)-3-[[(1R,8S)-3-tricyclo[6.5.0.02,7]trideca-2(7),3,5-trienyl]oxy]propan-2-ol | 89639-01-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(tert-butylamino)-3-[[(1R,8S)-3-tricyclo[6.5.0.02,7]trideca-2(7),3,5-trienyl]oxy]propan-2-ol
• CAS: 89639-01-0；89707-81-3
• 化学式: C₂₀H₃₁NO₂
• 分子量: 317.472
• InChiKey: AASURSKOEDBGHE-MERJSTESSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氯苯酚 在 吡啶 、 sodium hydroxide 、 palladium on activated charcoal 、 lithium aluminium tetrahydride 、 氢气 、 sodium amide 、 sodium t-butanolate 、 三氯氧磷 作用下， 以 乙醚 、 乙醇 、 丙酮 为溶剂， 反应 6.5h， 生成 1-(tert-butylamino)-3-[[(1R,8S)-3-tricyclo[6.5.0.02,7]trideca-2(7),3,5-trienyl]oxy]propan-2-ol
  参考文献：
  名称：

  Synthesis of a novel series of (aryloxy)propanolamines: new selective .beta.2-blocking agents

  摘要：

  A new family of beta-blocking drugs is described. The originality of the new molecules lies in their functionalized hydrophobic folded structure, the basic part of which contains a benzocyclobutene ring. Excellent beta 2-blocker selectivity has been obtained with some of these compounds. Interestingly, this selectivity was not modified toward beta 1-blocker activity by introduction of the usual beta 1 inducer groups.

  DOI：

  10.1021/jm00372a016

文献信息

• Synthesis of a novel series of (aryloxy)propanolamines: new selective .beta.2-blocking agents
  作者：Marie Christiane Carre、Alphonse Youlassani、Paul Caubere

  DOI：10.1021/jm00372a016

  日期：1984.6

  A new family of beta-blocking drugs is described. The originality of the new molecules lies in their functionalized hydrophobic folded structure, the basic part of which contains a benzocyclobutene ring. Excellent beta 2-blocker selectivity has been obtained with some of these compounds. Interestingly, this selectivity was not modified toward beta 1-blocker activity by introduction of the usual beta 1 inducer groups.