3-octyloxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl acetate | 1204769-08-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3-octyloxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl acetate
• CAS: 1204769-08-3
• 化学式: C₂₇H₃₀O₇
• 分子量: 466.531
• InChiKey: AXUQZLAMWLPYCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.36
• 重原子数：
  34.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  95.97
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-octyloxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl acetate 在 吡啶 、 四丁基高锰酸胺盐 、 sodium carbonate 作用下， 反应 2.5h， 生成 4,5-dihydroxy-7-octyloxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
  参考文献：
  名称：

  Synthesis and hypoglycemic activity evaluation of 7-alkoxyl-rhein

  摘要：

  A four-step microwave-assisted procedure was used to synthesize 7-alkoxyl-rhein derivatives 5a-e starting from emodin and 1-bromoalkanes. These compounds exhibited hypoglycemic activity by inhibiting alpha-glucosaccharase, which were influenced by the aliphatic chain length. Results showed that 5c displayed remarkable activity in vitro and in vivo.

  DOI：

  10.1007/s00044-010-9511-2
• 作为产物：
  描述：

  1-溴辛烷 在 吡啶 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 生成 3-octyloxy-6-methyl-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl acetate
  参考文献：
  名称：

  Synthesis and hypoglycemic activity evaluation of 7-alkoxyl-rhein

  摘要：

  A four-step microwave-assisted procedure was used to synthesize 7-alkoxyl-rhein derivatives 5a-e starting from emodin and 1-bromoalkanes. These compounds exhibited hypoglycemic activity by inhibiting alpha-glucosaccharase, which were influenced by the aliphatic chain length. Results showed that 5c displayed remarkable activity in vitro and in vivo.

  DOI：

  10.1007/s00044-010-9511-2