1,7-bis(4-hydroxy-3,5-dimethoxyphenyl)heptane-3,5-dione | 951132-34-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,7-bis(4-hydroxy-3,5-dimethoxyphenyl)heptane-3,5-dione
• 英文别名: 1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-3,5-heptanedione
• CAS: 951132-34-6
• 化学式: C₂₃H₂₈O₈
• 分子量: 432.471
• InChiKey: OPHDTXSSDVWUTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  31.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  111.52
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  丁香醛 在 palladium on activated charcoal 盐酸 、 硼酸三丁酯 、 氢气 、 正丁胺 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 2.0h， 生成 1,7-bis(4-hydroxy-3,5-dimethoxyphenyl)heptane-3,5-dione
  参考文献：
  名称：

  A comparative study on the antioxidant properties of tetrahydrocurcuminoids and curcuminoids

  摘要：

  Several curcuminoids and tetrahydrocurcuminoids (THCs), bearing various hydroxyl and/or methoxy groups on their benzene rings, have been synthesized to study their antioxidant and hydrogen donating capacities using the DPPH method at 25 degrees C in methanol. The results show that the tetrahydrocurcuminoids are in general much more efficient than their curcuminoid analogs if they include a phenol group in meta- or para-position of the linking chain and a neighboring phenol or methoxy group. This efficiency gain of THCs by comparison to curcuminoids was attributed to the presence of benzylic hydrogens involved in the oxidation process of these compounds and not to the beta-diketone moiety in the chain. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.06.085