2-(5-methyl-5-(4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl)propan-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-(5-methyl-5-(4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl)propan-2-ol
• 英文别名: bisabolol oxide B；2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, [3S-[3alpha,6alpha(R*)]]-；(3S,6S)-2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol
• 化学式: C₁₅H₂₆O₂
• 分子量: 238.37
• InChiKey: WJHRAVIQWFQMKF-MHEXWIEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  α-bisabolol 在 samaria-doped ceria 、 双氧水 作用下， 以 丙酮 为溶剂， 反应 5.0h， 生成 2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)tetrahydro-2H-pyran-3-ol 、 2-(5-methyl-5-(4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl)propan-2-ol
  参考文献：
  名称：

  Ce1−xSmxO1.9−δ nanoparticles obtained by microwave-assisted hydrothermal processing: an efficient application for catalytic oxidation of α-bisabolol

  摘要：

  基于掺钐氧化铈的异质催化剂首次用于α-红没药醇的液相氧化。纳米级催化剂通过微波水热合成获得，并通过X射线衍射（XRD）、温度程序还原（TPR）、拉曼光谱和N2物理吸附进行了表征。研究了钐掺杂、温度和溶剂对催化行为的影响。Ce0.9Sm0.15O1.85△催化剂的转化率高达84%，产物的综合选择性高达77%。反应对环氧化产物具有高度选择性（仅得到氧化红没药醇A和B），并且对温度和溶剂有很强的依赖性。Sm浓度越高，效果越好，这表明掺杂导致的结构性质变化使催化剂活性显著提高。

  DOI：

  10.1039/c3cy00788j

文献信息

• Ce1−xSmxO1.9−δ nanoparticles obtained by microwave-assisted hydrothermal processing: an efficient application for catalytic oxidation of α-bisabolol
  作者：A. G. M. Silva、T. S. Rodrigues、A. Dias、H. V. Fajardo、R. F. Gonçalves、M. Godinho、P. A. Robles-Dutenhefner

  DOI：10.1039/c3cy00788j

  日期：——

  Heterogeneous catalysts based on Sm-doped ceria were employed for the first time in the liquid-phase oxidation of α-bisabolol. Nanometer-sized catalysts were obtained by microwave-hydrothermal synthesis and were characterized by X-ray diffraction (XRD), temperature programmed reduction (TPR), Raman spectroscopy and N2-physisorption. The influence of Sm doping, temperature and the solvent used on the catalytic behavior was investigated. Conversions up to 84% and a combined selectivity for the products up to 77% were obtained for Ce0.9Sm0.15O1.85−δ catalysts. The reactions were highly selective for the epoxidation products (only bisabolol oxides A and B were obtained) and shown to be strongly dependent on the temperature and solvent employed. Best results were achieved for higher Sm concentrations, which indicate that changes in the textural properties due to doping produced a significantly more active catalyst.

  基于掺钐氧化铈的异质催化剂首次用于α-红没药醇的液相氧化。纳米级催化剂通过微波水热合成获得，并通过X射线衍射（XRD）、温度程序还原（TPR）、拉曼光谱和N2物理吸附进行了表征。研究了钐掺杂、温度和溶剂对催化行为的影响。Ce0.9Sm0.15O1.85△催化剂的转化率高达84%，产物的综合选择性高达77%。反应对环氧化产物具有高度选择性（仅得到氧化红没药醇A和B），并且对温度和溶剂有很强的依赖性。Sm浓度越高，效果越好，这表明掺杂导致的结构性质变化使催化剂活性显著提高。