8-acetyl-6,9-dihydroxy-1-(4-hydroxyphenyl)-7-methylbenzochroman-3-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 8-acetyl-6,9-dihydroxy-1-(4-hydroxyphenyl)-7-methylbenzochroman-3-one
• 英文别名: 8-Acetyl-6,9-dihydroxy-1-(4-hydroxyphenyl)-7-methyl-1,2-dihydrobenzo[f]chromen-3-one；8-acetyl-6,9-dihydroxy-1-(4-hydroxyphenyl)-7-methyl-1,2-dihydrobenzo[f]chromen-3-one
• 化学式: C₂₂H₁₈O₆
• 分子量: 378.381
• InChiKey: FBFAVNXRWKCRKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  硫酸二甲酯 、 8-acetyl-6,9-dihydroxy-1-(4-hydroxyphenyl)-7-methylbenzochroman-3-one 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 2.5h， 以18.6 mg的产率得到8-Acetyl-6,9-dimethoxy-1-(4-methoxy-phenyl)-7-methyl-1,2-dihydro-benzo[f]chromen-3-one
  参考文献：
  名称：

  A New Benzochromanone Derivative from Cape Aloe

  摘要：

  A new compound was isolated from a commercial sample of Cape aloe, and its structure was determined by spectral analysis. This benzo[f]chroman-3-one (1) occurs in the drug in racemic form. The synthesis of an analogous chromanone (9) via intramolecular thermal acid-catalyzed cyclization of the 2-naphthyl cinnamate (11) strongly supports the formation of 1 as a process product.

  DOI：

  10.1021/jf950257u

文献信息

• A New Benzochromanone Derivative from Cape Aloe
  作者：Giovanna Speranza、Antonella Di Meo、Paolo Manitto、Diego Monti、Gabriele Fontana

  DOI：10.1021/jf950257u

  日期：1996.1.1

  A new compound was isolated from a commercial sample of Cape aloe, and its structure was determined by spectral analysis. This benzo[f]chroman-3-one (1) occurs in the drug in racemic form. The synthesis of an analogous chromanone (9) via intramolecular thermal acid-catalyzed cyclization of the 2-naphthyl cinnamate (11) strongly supports the formation of 1 as a process product.