1,7-dimethoxy-6-hydroxyxanthone | 145523-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1,7-dimethoxy-6-hydroxyxanthone
• 英文别名: 3-hydroxy-2,8-dimethoxyxanthone；6-hydroxy-1,7-dimethoxyxanthone；6-Hydroxy-1,7-dimethoxy-9H-xanthen-9-one；6-hydroxy-1,7-dimethoxyxanthen-9-one
• CAS: 145523-70-2
• 化学式: C₁₅H₁₂O₅
• 分子量: 272.257
• InChiKey: GIIJGJLVDMQDQS-UHFFFAOYSA-N

物化性质

• 沸点：
  483.7±45.0 °C(Predicted)
• 密度：
  1.360±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,7-dimethoxy-6-hydroxyxanthone 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以10 mg的产率得到1,6-dihydroxy-7-methoxyxanthone
  参考文献：
  名称：

  Three xanthones from Poeciloneuron pauciflorum and Mammea acuminata

  摘要：

  From the stem of Poeciloneuron pauciflorum, two new xanthones (1,6-dihydroxy-7-methoxyxanthone and 1,6-dihydroxy-7-methoxyxanthone 6-O-beta-D-glucoside) in addition to 12 known compounds (1,5-dihydroxy-, 1,5-dihydroxy-3-methoxy-, 1,7-dihydroxy-, 1-hydroxy-7-methoxy-, 2-methoxy-, 4-methoxy-, 1,4,5-trihydroxy-, 1,3,5-trihydroxy-, 1,3,6-trihydroxy-7-methoxy-, 1,3,7-trihydroxy-, 3-hydroxy-2-methoxyxanthone and (-)-epicatechin) were isolated. From the aerial parts (stems and bark) of Mammea acuminata, a new xanthone (2,7-dihydroxyxanthone) was isolated in addition to two known xanthones (1,5-dihydroxy- and 5-hydroxy-1-methoxyxanthone) and (-)-epicatechin. The structures were established by spectral analysis and total synthesis in case of 1,6-dihydroxy-7-methoxyxanthone. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(96)00856-4
• 作为产物：
  描述：

  2,6-二甲氧基苯甲酸 在 三氯化铝 、 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 14.0h， 生成 1,7-dimethoxy-6-hydroxyxanthone
  参考文献：
  名称：

  Three xanthones from Poeciloneuron pauciflorum and Mammea acuminata

  摘要：

  From the stem of Poeciloneuron pauciflorum, two new xanthones (1,6-dihydroxy-7-methoxyxanthone and 1,6-dihydroxy-7-methoxyxanthone 6-O-beta-D-glucoside) in addition to 12 known compounds (1,5-dihydroxy-, 1,5-dihydroxy-3-methoxy-, 1,7-dihydroxy-, 1-hydroxy-7-methoxy-, 2-methoxy-, 4-methoxy-, 1,4,5-trihydroxy-, 1,3,5-trihydroxy-, 1,3,6-trihydroxy-7-methoxy-, 1,3,7-trihydroxy-, 3-hydroxy-2-methoxyxanthone and (-)-epicatechin) were isolated. From the aerial parts (stems and bark) of Mammea acuminata, a new xanthone (2,7-dihydroxyxanthone) was isolated in addition to two known xanthones (1,5-dihydroxy- and 5-hydroxy-1-methoxyxanthone) and (-)-epicatechin. The structures were established by spectral analysis and total synthesis in case of 1,6-dihydroxy-7-methoxyxanthone. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(96)00856-4