(2R,7R,8aR)-4,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-chromene | 1448612-78-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (2R,7R,8aR)-4,7-dimethyl-2-(3,4,5-trimethoxyphenyl)-3,5,6,7,8,8a-hexahydro-2H-chromene
• CAS: 1448612-78-9
• 化学式: C₂₀H₂₈O₄
• 分子量: 332.44
• InChiKey: KXUYXOAYHLIZCW-CSMYWGQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.68
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲醛 、 异胡薄荷醇 在 calcined clay K₁₀ 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以54.545%的产率得到
  参考文献：
  名称：

  Transformations of several monoterpenoids in the presence of aldehydes in supercritical solvents

  摘要：

  The reactivity of verbenol epoxide and isopulegol in supercritical solvents in the presence of aromatic aldehydes was studied using a flow type reactor and a heterogeneous catalyst (Al2O3) or no catalyst. The intramolecular transformations or interactions of reagents with the solvent prevailed in all cases; the yield of the products of intermolecular reactions of terpenoids with aldehydes was up to 1%. The aldehydes did not interact with verbenol epoxide but produced a considerable effect on the distribution of its isomerization products.

  DOI：

  10.1134/s0036024413030023