(11R,15S)-12-((1S,2R,4R)-7,7-dimethyl-2-propoxybicyclo[2.2.1]heptane-1-carbonyl)-9,10-dihydro-9,10-[4,5]epoxazoloanthracen-13-one | 139174-10-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (11R,15S)-12-((1S,2R,4R)-7,7-dimethyl-2-propoxybicyclo[2.2.1]heptane-1-carbonyl)-9,10-dihydro-9,10-[4,5]epoxazoloanthracen-13-one
• CAS: 139174-10-0
• 化学式: C₃₀H₃₃NO₄
• 分子量: 471.596
• InChiKey: ZTWKHGVPUAERMX-YXWOFJCDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.61
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.84
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (11R,15S)-12-((1S,2R,4R)-7,7-dimethyl-2-propoxybicyclo[2.2.1]heptane-1-carbonyl)-9,10-dihydro-9,10-[4,5]epoxazoloanthracen-13-one 在 lithium phenylmethanethiolate 作用下， 生成 (15S,19R)-16-oxa-18-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one
  参考文献：
  名称：

  Conformationally rigid chiral [4+2]cycloadduct-based 2-oxazolidinones as new auxiliaries

  摘要：

  Newly introduced enantiomerically pure [4 + 2]cycloadduct-based 2-oxazolidinones which are conformationally fixed by bicyclo[2.2.2] and [2.2.1] ring systems, serve well as exellent chiral auxiliaries in the Evans' asymmetric strategy.

  DOI：

  10.1016/0040-4039(91)80573-o
• 作为产物：
  描述：

  蒽 、 N-<(1S,2R)-2-propoxy-1-apocamphanecarbonyl>oxazolone 以 xylene 为溶剂， 生成 (11R,15S)-12-((1S,2R,4R)-7,7-dimethyl-2-propoxybicyclo[2.2.1]heptane-1-carbonyl)-9,10-dihydro-9,10-[4,5]epoxazoloanthracen-13-one 、 (11R,15S)-12-((1S,2R,4R)-7,7-dimethyl-2-propoxybicyclo[2.2.1]heptane-1-carbonyl)-9,10-dihydro-9,10-[4,5]epoxazoloanthracen-13-one
  参考文献：
  名称：

  Conformationally rigid chiral [4+2]cycloadduct-based 2-oxazolidinones as new auxiliaries

  摘要：

  Newly introduced enantiomerically pure [4 + 2]cycloadduct-based 2-oxazolidinones which are conformationally fixed by bicyclo[2.2.2] and [2.2.1] ring systems, serve well as exellent chiral auxiliaries in the Evans' asymmetric strategy.

  DOI：

  10.1016/0040-4039(91)80573-o