5,5'-(2,6-diphenylpyrrolo[2,3-f]indole-1,5-diyl)bis(2-phenyl-1,3,4-oxadiazole) | 1354644-62-4

• 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: 5,5'-(2,6-diphenylpyrrolo[2,3-f]indole-1,5-diyl)bis(2-phenyl-1,3,4-oxadiazole)
• 英文别名: 2-[2,6-Diphenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolo[2,3-f]indol-5-yl]-5-phenyl-1,3,4-oxadiazole；2-[2,6-diphenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolo[2,3-f]indol-5-yl]-5-phenyl-1,3,4-oxadiazole
• CAS: 1354644-62-4
• 化学式: C₃₈H₂₄N₆O₂
• 分子量: 596.648
• InChiKey: OKQVDXPNTJOTBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-苯基-1,3,4-噁二唑 、 1,4-diamino-2,5-bis(phenylethynyl)benzene 在 1,10-菲罗啉 、 氧气 、 copper diacetate 、 potassium carbonate 、 甲基萘 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以43%的产率得到5,5'-(2,6-diphenylpyrrolo[2,3-f]indole-1,5-diyl)bis(2-phenyl-1,3,4-oxadiazole)
  参考文献：
  名称：

  Synthesis of N-Azolylindoles by Copper-Catalyzed C–H/N–H Coupling–Annulation Sequence of o-Alkynylanilines

  摘要：

  A wide range of o-alkynylanilines undergo a copper-catalyzed direct C-H/N-H coupling with azoles followed by benzannulation to form the corresponding N-azolylindoles in good yields. The domino reaction proceeds effectively with molecular oxygen as the sole oxidant and provides a new dehydrogenative access to the titled compounds of interest in pharmaceutical and material sciences.

  DOI：

  10.1021/ol203392r

文献信息

• Synthesis of <i>N</i>-Azolylindoles by Copper-Catalyzed C–H/N–H Coupling–Annulation Sequence of <i>o</i>-Alkynylanilines
  作者：Yoshiro Oda、Koji Hirano、Tetsuya Satoh、Masahiro Miura

  DOI：10.1021/ol203392r

  日期：2012.1.20

  A wide range of o-alkynylanilines undergo a copper-catalyzed direct C-H/N-H coupling with azoles followed by benzannulation to form the corresponding N-azolylindoles in good yields. The domino reaction proceeds effectively with molecular oxygen as the sole oxidant and provides a new dehydrogenative access to the titled compounds of interest in pharmaceutical and material sciences.