(3aR,4S,7R,7aS)-7a-Methoxy-octahydro-4,7-methano-inden-3a-ol | 135561-82-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aR,4S,7R,7aS)-7a-Methoxy-octahydro-4,7-methano-inden-3a-ol
• CAS: 135561-82-9
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: YQUFYZCJPQNFAL-ZDCRXTMVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.72
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  tricyclo<5.2.1.0^2,6>dec-2(6)-ene 在 氧气 作用下， 以 甲醇 为溶剂， 生成 bicyclo<5.2.1>decane-2,6-dione 、 exo-2,6-epoxytricyclo<5.2.1.0^2,6>decane 、 (3aR,4S,7R,7aS)-7a-Methoxy-octahydro-4,7-methano-inden-3a-ol
  参考文献：
  名称：

  Spontaneous oxygenation of cyclic olefins. Effects of strain

  摘要：

  Reactivity of strained olefins 1-3, 41, and 44 toward spontaneous oxygenation has been evaluated. Angle-strained olefins 1, 32, and 35 react spontaneously with ground-state triplet oxygen, at room temperature, to yield quantitatively, not copolymers or hydroperoxides, but epoxides and diketones in approximately a 2:1 ratio. The autoxidation of 1 is carried out with various solvents, inhibitors, initiators, and in the presence of 2 and 1,2-dimethylcyclohexene to determine the mechanistic details. Compared with 1, autoxidation of 2 and 3 follows a different route yielding mainly hydroperoxides along with other products. The mechanism of the spontaneous autoxidation is discussed in light of these results.

  DOI：

  10.1021/jo00021a016