6,11-dihydroxy-1,7-dimethoxy-3-methyl-5-methylphenyl-5H-benzo[b]carbazole | 200508-12-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6,11-dihydroxy-1,7-dimethoxy-3-methyl-5-methylphenyl-5H-benzo[b]carbazole
• CAS: 200508-12-9
• 化学式: C₂₆H₂₃NO₄
• 分子量: 413.473
• InChiKey: SRIHQZRUKNVFJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  63.85
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6,11-dihydroxy-1,7-dimethoxy-3-methyl-5-methylphenyl-5H-benzo[b]carbazole 在 氧气 作用下， 生成 1,7-dimethoxy-3-methyl-5-methylphenyl-5H-benzo[b]carbazole-6,11-dione
  参考文献：
  名称：

  Synthesis of benzo[b]carbazoloquinones by coupling of organostannanes with bromoquinones

  摘要：

  The synthesis of 5-carbonitrile-1,7-dihydroxy-3-methyl-5H-benzo[b]carbazole-6,11-dione, the quinone originally proposed as prekinamycin, was completed by using a palladium and copper catalyzed Stille reaction as the key step. A subsequent heterocyclization afforded a mixture of para(benzo[b]carbazole-6,11-dione) and ortho (benzo[a]carbazole-6,11-dione) quinones. A procedure for the N-cyanation of model indoles is also described. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10085-0
• 作为产物：
  描述：

  1,7-dimethoxy-3-methyl-5-methylphenyl-5H-benzo[b]carbazole-6,11-dione 在 溶剂黄146 、 锌 作用下， 反应 0.25h， 以10 mg的产率得到6,11-dihydroxy-1,7-dimethoxy-3-methyl-5-methylphenyl-5H-benzo[b]carbazole
  参考文献：
  名称：

  Synthesis of benzo[b]carbazoloquinones by coupling of organostannanes with bromoquinones

  摘要：

  The synthesis of 5-carbonitrile-1,7-dihydroxy-3-methyl-5H-benzo[b]carbazole-6,11-dione, the quinone originally proposed as prekinamycin, was completed by using a palladium and copper catalyzed Stille reaction as the key step. A subsequent heterocyclization afforded a mixture of para(benzo[b]carbazole-6,11-dione) and ortho (benzo[a]carbazole-6,11-dione) quinones. A procedure for the N-cyanation of model indoles is also described. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)10085-0