cis-4-butyramido-4b,6,7,8,9,9a-hexahydro-5H-benzo<3,4>cyclobuta<1,2>cyclohepten-1-ol | 89638-90-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cis-4-butyramido-4b,6,7,8,9,9a-hexahydro-5H-benzo<3,4>cyclobuta<1,2>cyclohepten-1-ol
• 英文别名: cis-4-butyramido-4b,6,7,8,9,9a-hexahydro-5H-benzo[3,4]cyclobuta[1,2]cyclohepten-1-ol；N-[(1R,8S)-6-hydroxy-3-tricyclo[6.5.0.02,7]trideca-2,4,6-trienyl]butanamide
• CAS: 89638-90-4
• 化学式: C₁₇H₂₃NO₂
• 分子量: 273.375
• InChiKey: LWCHKQVAKNOFOB-NEPJUHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cis-4-butyramido-4b,6,7,8,9,9a-hexahydro-5H-benzo<3,4>cyclobuta<1,2>cyclohepten-1-ol 在 sodium hydroxide 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 6.5h， 生成
  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
• 作为产物：
  描述：

  3-氯苯酚 在 palladium on activated charcoal 吡啶 、 palladium on activated charcoal 、 lithium aluminium tetrahydride 、 氢气 、 硝酸 、 sodium amide 、 sodium t-butanolate 、 三氯氧磷 作用下， 以 乙醚 、 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， -5.0~25.0 ℃ 、101.33 kPa 条件下， 反应 5.0h， 生成 cis-4-butyramido-4b,6,7,8,9,9a-hexahydro-5H-benzo<3,4>cyclobuta<1,2>cyclohepten-1-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.