(E)-1-(2-hydroxy-4,6-diisopropoxyphenyl)-3-(3,5-diisopropoxyphenyl)propenone | 216700-46-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-1-(2-hydroxy-4,6-diisopropoxyphenyl)-3-(3,5-diisopropoxyphenyl)propenone
• CAS: 216700-46-8
• 化学式: C₂₇H₃₆O₆
• 分子量: 456.579
• InChiKey: NDWDWEQPYVDFNB-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.44
• 重原子数：
  33.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  74.22
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (E)-1-(2-hydroxy-4,6-diisopropoxyphenyl)-3-(3,5-diisopropoxyphenyl)propenone 在 磷酸 作用下， 反应 5.0h， 以25%的产率得到2-(3,5-Diisopropoxy-phenyl)-5,7-diisopropoxy-chroman-4-one
  参考文献：
  名称：

  Huazhongilexone is not 3',5,5',7-Tetrahydroxyflavanone. Preparation of 3',5'-Dimethoxy-5,7-dihydroxyflavanone.

  摘要：

  Huazhongilexone, isolated from Ilex centrochinensis, was originally assigned the structure 3 ',5,5 ',7-tetrahydroxyflavanone. The racemic flavanone has been synthezised. Huazhongilexone is different from the synthetic compound and thus must have a different structure. In addition the new (+/-)-3 ',5 '-dimethoxy-5,7-dihydroxyflavanone has been prepared and characterized.

  DOI：

  10.3891/acta.chem.scand.52-1243
• 作为产物：
  描述：

  [3,5-二(丙烷-2-氧基)苯基]甲醇 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 (E)-1-(2-hydroxy-4,6-diisopropoxyphenyl)-3-(3,5-diisopropoxyphenyl)propenone
  参考文献：
  名称：

  Huazhongilexone is not 3',5,5',7-Tetrahydroxyflavanone. Preparation of 3',5'-Dimethoxy-5,7-dihydroxyflavanone.

  摘要：

  Huazhongilexone, isolated from Ilex centrochinensis, was originally assigned the structure 3 ',5,5 ',7-tetrahydroxyflavanone. The racemic flavanone has been synthezised. Huazhongilexone is different from the synthetic compound and thus must have a different structure. In addition the new (+/-)-3 ',5 '-dimethoxy-5,7-dihydroxyflavanone has been prepared and characterized.

  DOI：

  10.3891/acta.chem.scand.52-1243