2-{[1-(4-Nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indol-3-ylamino]-methylene}-malonic acid diethyl ester | 749920-94-3

• 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: 2-{[1-(4-Nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indol-3-ylamino]-methylene}-malonic acid diethyl ester
• CAS: 749920-94-3
• 化学式: C₂₅H₂₂N₄O₇
• 分子量: 490.472
• InChiKey: UXDANQWXGFHZED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  145.56
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-{[1-(4-Nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indol-3-ylamino]-methylene}-malonic acid diethyl ester 在 联苯 作用下， 反应 1.5h， 以38%的产率得到6-(4-Nitro-phenyl)-1,5-dioxo-4,5,6,11-tetrahydro-1H-4,6,11-triaza-benzo[a]fluorene-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis of derivatives of a new heterocyclic system, indolo[2,3-f][1,7]naphthyridine

  摘要：

  3-(N'-Aryl-N'-cliloroacetyl)amino-2-formyliildoles were converted into 3-amino-1-aryl2-oxo-1,2-dihvdropyrido[3,2-b]indoles, which were used to synthesize derivatives of a new heterocyclic system, namely, indolo [2.3-f][1,7] naphthyridine. The structures of the resulting Compounds were proved by IR and H-1 NMR spectroscopy and mass spectrometry.

  DOI：

  10.1023/b:rucb.0000011871.28637.78
• 作为产物：
  描述：

  2-formyl-3-[N'-(ω-chloroacetyl)-N'-(4-nitrophenyl)amino]indole 在 苄胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 2-{[1-(4-Nitro-phenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indol-3-ylamino]-methylene}-malonic acid diethyl ester
  参考文献：
  名称：

  Synthesis of derivatives of a new heterocyclic system, indolo[2,3-f][1,7]naphthyridine

  摘要：

  3-(N'-Aryl-N'-cliloroacetyl)amino-2-formyliildoles were converted into 3-amino-1-aryl2-oxo-1,2-dihvdropyrido[3,2-b]indoles, which were used to synthesize derivatives of a new heterocyclic system, namely, indolo [2.3-f][1,7] naphthyridine. The structures of the resulting Compounds were proved by IR and H-1 NMR spectroscopy and mass spectrometry.

  DOI：

  10.1023/b:rucb.0000011871.28637.78