3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol | 488758-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
• CAS: 488758-93-6
• 化学式: C₁₆H₂₂O₂
• 分子量: 246.349
• InChiKey: FMCRORUIFJRZKZ-KANYHAFZSA-N

物化性质

• 沸点：
  314.2±30.0 °C(Predicted)
• 密度：
  1.122±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  莰烯 、 邻苯二酚 在 (acac)2AlCl 作用下， 反应 4.0h， 生成 3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol 、 、 、 2-isobornyloxyphenol 、 2-[[(1S,2R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenol
  参考文献：
  名称：

  Catalytic alkylation of pyrocatechol with camphene

  摘要：

  Regularities of the pyrocatechol alkylation with camphene in the presence of aluminum-containing homogeneous catalysts and heterogeneous acid catalysts were studied. The effect of the catalyst type on the reaction selectivity and the product composition was established. The most selective heterogeneous catalyst for the C-alkylation of pyrocatechol is montmorillonite KSF, which leads to a rearrangement of the terpene fragment to isocamphyl structure. Homogeneous organoalyuminum compounds are found to be nonselective catalysts for the alkylation of pyrocatechol at the benzene ring.

  DOI：

  10.1134/s1070363212060163

文献信息

• Catalytic alkylation of pyrocatechol with camphene
  作者：I. Yu. Chukicheva、I. V. Fedorova、Yu. S. Matveev、A. V. Kutchin

  DOI：10.1134/s1070363212060163

  日期：2012.6

  Regularities of the pyrocatechol alkylation with camphene in the presence of aluminum-containing homogeneous catalysts and heterogeneous acid catalysts were studied. The effect of the catalyst type on the reaction selectivity and the product composition was established. The most selective heterogeneous catalyst for the C-alkylation of pyrocatechol is montmorillonite KSF, which leads to a rearrangement of the terpene fragment to isocamphyl structure. Homogeneous organoalyuminum compounds are found to be nonselective catalysts for the alkylation of pyrocatechol at the benzene ring.