(1S,2R,6S,7R)-5-((1S,2R,4R)-7,7-Dimethyl-2-propoxy-bicyclo[2.2.1]heptane-1-carbonyl)-3-oxa-5-aza-tricyclo[5.2.1.02,6]dec-8-en-4-one | 139174-12-2

• 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: (1S,2R,6S,7R)-5-((1S,2R,4R)-7,7-Dimethyl-2-propoxy-bicyclo[2.2.1]heptane-1-carbonyl)-3-oxa-5-aza-tricyclo[5.2.1.02,6]dec-8-en-4-one
• CAS: 139174-12-2
• 化学式: C₂₁H₂₉NO₄
• 分子量: 359.466
• InChiKey: XFTCBCBSPQEGDZ-IOUGASSJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 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：

  (1S,2R,6S,7R)-5-((1S,2R,4R)-7,7-Dimethyl-2-propoxy-bicyclo[2.2.1]heptane-1-carbonyl)-3-oxa-5-aza-tricyclo[5.2.1.02,6]dec-8-en-4-one 在 lithium phenylmethanethiolate 作用下， 生成 (1S,2R,6S,7R)-3-氧杂-5-氮杂三环[5.2.1.02,6]癸-8-烯-4-酮
  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：

  N-<(1S,2R)-2-propoxy-1-apocamphanecarbonyl>oxazolone 、 环戊二烯 生成 (1R,2S,6R,7S)-5-((1S,2R,4R)-7,7-Dimethyl-2-propoxy-bicyclo[2.2.1]heptane-1-carbonyl)-3-oxa-5-aza-tricyclo[5.2.1.02,6]dec-8-en-4-one 、 (1S,2R,6S,7R)-5-((1S,2R,4R)-7,7-Dimethyl-2-propoxy-bicyclo[2.2.1]heptane-1-carbonyl)-3-oxa-5-aza-tricyclo[5.2.1.02,6]dec-8-en-4-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