4-formyl-2,6-bis{(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}phenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | 1423625-61-9

• 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: 4-formyl-2,6-bis{(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}phenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
• CAS: 1423625-61-9
• 化学式: C₃₇H₅₀O₅
• 分子量: 574.801
• InChiKey: HSCCHTCMWBLFBS-HTOHRSGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.39
• 重原子数：
  42.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-formyl-2,6-bis{(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}phenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate 在 potassium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以81%的产率得到4-hydroxy-3,5-bis(1,7,7-trimethylbicyclo[2.2.1]-heptan-2-exo-yl)benzaldehyde
  参考文献：
  名称：

  Optical resolution of racemic 4-hydroxy-3,5-diisobornylbenzaldehyde

  摘要：

  Optical resolution of racemic 4-hydroxy-3,5-diisobornylbenzaldehyde was accomplished via transformation into diastereoisomeric esters by treatment with (1S)-camphanoyl chloride. The absolute configuration of the enantiomers was determined on the basis of the X-ray diffraction data for one diastereoisomeric camphanate. DOI: 10.1134/S1070428013010119

  DOI：

  10.1134/s1070428013010119
• 作为产物：
  描述：

  莰烯 在 4-二甲氨基吡啶 、 溴 、 aluminium tris(p-methylphenoxide) 、 三乙胺 、 叔丁醇 作用下， 以 甲苯 为溶剂， 反应 7.0h， 生成 4-formyl-2,6-bis{(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}phenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
  参考文献：
  名称：

  Optical resolution of racemic 4-hydroxy-3,5-diisobornylbenzaldehyde

  摘要：

  Optical resolution of racemic 4-hydroxy-3,5-diisobornylbenzaldehyde was accomplished via transformation into diastereoisomeric esters by treatment with (1S)-camphanoyl chloride. The absolute configuration of the enantiomers was determined on the basis of the X-ray diffraction data for one diastereoisomeric camphanate. DOI: 10.1134/S1070428013010119

  DOI：

  10.1134/s1070428013010119