5,8-dihydroxy-2,7-dimethoxy-3-methyl-1,4-naphthoquinone | 367922-97-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5,8-dihydroxy-2,7-dimethoxy-3-methyl-1,4-naphthoquinone
• CAS: 367922-97-2
• 化学式: C₁₃H₁₂O₆
• 分子量: 264.235
• InChiKey: VURTWEYILOPJOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.41
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  93.06
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5,8-dihydroxy-2,7-dimethoxy-3-methyl-1,4-naphthoquinone 在 盐酸 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 1.0h， 生成 3-ethyl-2,5,8-trihydroxy-7-methoxy-6-methyl-1,4-naphthoquinone
  参考文献：
  名称：

  摘要：

  A set of substituted 2-hydroxy-6(7)-methoxynaphthazarins and 7(8)-hydroxypyranonaphthazarins were synthesized. The IR spectra of 2-hydroxy-6-methoxynaphthazarins and 7-hydroxypyranonaphthazarins, on the one hand, and of 2-hydroxy-7-methoxynaphthazarins and 8-hydroxypyranonaphthazarins, on the other hand, have the characteristic nonoverlapping intervals of stretching vibration frequencies of the beta -hydroxy groups. These regularities confirm the structures of cristazarin and 6-methylcristazarin, which are metabolites of lichen Cladonia cristatella.

  DOI：

  10.1023/a:1009533403588
• 作为产物：
  描述：

  重氮甲烷 、 2,5,7,8-tetrahydroxy-3-methyl-1,4-naphthoquinone 以 乙醚 为溶剂， 以89%的产率得到5,8-dihydroxy-2,7-dimethoxy-3-methyl-1,4-naphthoquinone
  参考文献：
  名称：

  摘要：

  A set of substituted 2-hydroxy-6(7)-methoxynaphthazarins and 7(8)-hydroxypyranonaphthazarins were synthesized. The IR spectra of 2-hydroxy-6-methoxynaphthazarins and 7-hydroxypyranonaphthazarins, on the one hand, and of 2-hydroxy-7-methoxynaphthazarins and 8-hydroxypyranonaphthazarins, on the other hand, have the characteristic nonoverlapping intervals of stretching vibration frequencies of the beta -hydroxy groups. These regularities confirm the structures of cristazarin and 6-methylcristazarin, which are metabolites of lichen Cladonia cristatella.

  DOI：

  10.1023/a:1009533403588