7-hydroxy-6-(4-methoxyphenethyl)indolo<2,3-a>pyrrolo<3,4-c>carbazole-5-(6H)one | 172950-90-2

• 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: 7-hydroxy-6-(4-methoxyphenethyl)indolo<2,3-a>pyrrolo<3,4-c>carbazole-5-(6H)one
• 英文别名: 14-Hydroxy-13-[2-(4-methoxyphenyl)ethyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
• CAS: 172950-90-2
• 化学式: C₂₉H₂₃N₃O₃
• 分子量: 461.52
• InChiKey: IQIKYVLQLOMSRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-hydroxy-6-(4-methoxyphenethyl)indolo<2,3-a>pyrrolo<3,4-c>carbazole-5-(6H)one 在 palladium on activated charcoal 氢气 作用下， 以54%的产率得到13-[2-(4-Methoxyphenyl)ethyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
  参考文献：
  名称：

  Simple Synthesis of 2,2'-Bisindole from Indigo and Its Application for the Syntheses of Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one Derivatives

  摘要：

  Indigo was converted to 2,2'-bisindole, from which 6-substituted indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one derivatives were prepared in short steps. Bromination of 6-methylindolo[2,3-a]pyrrolo[3,4-c]carbazole5,7-(6H)dione is also reported.

  DOI：

  10.3987/com-95-7192
• 作为产物：
  描述：

  13-[2-(4-Methoxyphenyl)ethyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione 在 sodium tetrahydroborate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到7-hydroxy-6-(4-methoxyphenethyl)indolo<2,3-a>pyrrolo<3,4-c>carbazole-5-(6H)one
  参考文献：
  名称：

  Simple Synthesis of 2,2'-Bisindole from Indigo and Its Application for the Syntheses of Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one Derivatives

  摘要：

  Indigo was converted to 2,2'-bisindole, from which 6-substituted indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one derivatives were prepared in short steps. Bromination of 6-methylindolo[2,3-a]pyrrolo[3,4-c]carbazole5,7-(6H)dione is also reported.

  DOI：

  10.3987/com-95-7192