2-hydroxy-4-methoxy-1H-phenalen-1-one | 1446213-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 非那烯类
• 英文名称: 2-hydroxy-4-methoxy-1H-phenalen-1-one
• CAS: 1446213-46-2
• 化学式: C₁₄H₁₀O₃
• 分子量: 226.232
• InChiKey: PKAWTMZNIZSKQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-4-methoxy-1H-phenalen-1-one 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以60%的产率得到2,4-dihydroxy-1H-phenalen-1-one
  参考文献：
  名称：

  Radical Scavenging Capacity of 2,4-Dihydroxy-9-phenyl-1H-phenalen-1-one: A Functional Group Exclusion Approach

  摘要：

  2,4-Dihydroxy-9-phenyl-1H-phenalen-1-one (4-hydroxyanigorufone, 1), a compound isolated from Anigozanthos flavidus and Monochoria elate, displayed a high radical scavenging capacity in the ORAC assay. A systematic approach was adopted in order to explore the effect of each functional group. H-Atom transfer from the phenolic hydroxyl, a captodative effect from the hydroxy ketone, and the presumed involvement of the phenyl ring in the termination step of the radical reaction were disclosed as relevant features of this type of antioxidant

  DOI：

  10.1021/ol400384z
• 作为产物：
  描述：

  3-(2-methoxynaphthalen-1-yl)propanenitrile 在 calcium hypochlorite 、 氯化亚砜 、 4-苯基吡啶-N-氧化物 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 2-hydroxy-4-methoxy-1H-phenalen-1-one
  参考文献：
  名称：

  Radical Scavenging Capacity of 2,4-Dihydroxy-9-phenyl-1H-phenalen-1-one: A Functional Group Exclusion Approach

  摘要：

  2,4-Dihydroxy-9-phenyl-1H-phenalen-1-one (4-hydroxyanigorufone, 1), a compound isolated from Anigozanthos flavidus and Monochoria elate, displayed a high radical scavenging capacity in the ORAC assay. A systematic approach was adopted in order to explore the effect of each functional group. H-Atom transfer from the phenolic hydroxyl, a captodative effect from the hydroxy ketone, and the presumed involvement of the phenyl ring in the termination step of the radical reaction were disclosed as relevant features of this type of antioxidant

  DOI：

  10.1021/ol400384z