2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• 英文别名: 2-Amino-1-anilino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile；2-amino-1-anilino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
• 化学式: C₂₄H₂₃N₅O₃
• 分子量: 429.478
• InChiKey: BPXZWKYHHXFTFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 5.25h， 生成 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
  参考文献：
  名称：

  Reactions of cyclic enhydrazinoketones with arylidene derivatives of malononitrile. Synthesis of fusedN-substituted 1,4-dihydropyridines

  摘要：

  A new method for the synthesis of fused N-amino-1,4-dihydropyridines was proposed. The method is based on the addition of cyclic enhydrazinoketones to arylidenemalononitriles. The structures of the compounds synthesized were studied using H-1 NMR spectroscopy.

  DOI：

  10.1007/bf02495769

文献信息

• Reactions of cyclic enhydrazinoketones with arylidene derivatives of malononitrile. Synthesis of fusedN-substituted 1,4-dihydropyridines
  作者：B. V. Lichitsky、V. N. Yarovenko、I. V. Zavarzin、M. M. Krayushkin

  DOI：10.1007/bf02495769

  日期：2000.7

  A new method for the synthesis of fused N-amino-1,4-dihydropyridines was proposed. The method is based on the addition of cyclic enhydrazinoketones to arylidenemalononitriles. The structures of the compounds synthesized were studied using H-1 NMR spectroscopy.