6-bromo-5-methoxy-7-methyl-1,4-naphthoquinone | 273200-92-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-bromo-5-methoxy-7-methyl-1,4-naphthoquinone
• 英文别名: 6-Bromo-5-methoxy-7-methylnaphthalene-1,4-dione
• CAS: 273200-92-3
• 化学式: C₁₂H₉BrO₃
• 分子量: 281.106
• InChiKey: LOXFJZUNLJTYDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-bromo-5-methoxy-7-methyl-1,4-naphthoquinone 在 盐酸 、 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以97%的产率得到6-bromo-5-methoxy-7-methyl-1,4-naphthalenediol
  参考文献：
  名称：

  Synthesis of Diospyrin, a Potential Agent Against Leishmaniasis and Related Parasitic Protozoan Diseases

  摘要：

  The first synthesis of diospyrin [2,6'-bis(5-hydroxy-7-methyl-1,4-naphthoquinone), Ij was achieved by employing Suzuki coupling between 5 and 14 as the key reaction to connect the two 7-methyljuglone units.

  DOI：

  10.1002/1099-0690(200004)2000:7<1313::aid-ejoc1313>3.0.co;2-i
• 作为产物：
  描述：

  2-溴-3-甲基丁烯酸甲酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 6-bromo-5-methoxy-7-methyl-1,4-naphthoquinone
  参考文献：
  名称：

  Synthesis of Diospyrin, a Potential Agent Against Leishmaniasis and Related Parasitic Protozoan Diseases

  摘要：

  The first synthesis of diospyrin [2,6'-bis(5-hydroxy-7-methyl-1,4-naphthoquinone), Ij was achieved by employing Suzuki coupling between 5 and 14 as the key reaction to connect the two 7-methyljuglone units.

  DOI：

  10.1002/1099-0690(200004)2000:7<1313::aid-ejoc1313>3.0.co;2-i

文献信息

• Synthesis of Diospyrin, a Potential Agent Against Leishmaniasis and Related Parasitic Protozoan Diseases
  作者：Masao Yoshida、Kenji Mori

  DOI：10.1002/1099-0690(200004)2000:7<1313::aid-ejoc1313>3.0.co;2-i

  日期：2000.4

  The first synthesis of diospyrin [2,6'-bis(5-hydroxy-7-methyl-1,4-naphthoquinone), Ij was achieved by employing Suzuki coupling between 5 and 14 as the key reaction to connect the two 7-methyljuglone units.