4-methyl(phenyl)amino-3-nitrobenzoic acid | 811807-83-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methyl(phenyl)amino-3-nitrobenzoic acid
• 英文别名: 4-(N-methylanilino)-3-nitrobenzoic acid
• CAS: 811807-83-7
• 化学式: C₁₄H₁₂N₂O₄
• 分子量: 272.26
• InChiKey: CMFIVLLFKNDANM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  86.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-methyl(phenyl)amino-3-nitrobenzoic acid 在 palladium on activated charcoal 氢气 、 sodium nitrite 作用下， 以 盐酸 、 甲醇 、 水 为溶剂， 生成 9-甲基-9H-咔唑-3-羧酸
  参考文献：
  名称：

  N-Methylcarbazole-3-carboxylic Acid and Its Amides

  摘要：

  N-Methylcarbazole-3-carboxylic acid was synthesized from N-methyl-2-amino-4-carboxydiphenylamine through the corresponding diazo compound by a modified Pschorr procedure. The acid was converted into N-methylcarbazole-3-carbonyl chloride which was treated with amines containing benzo- and aza-crown ether moieties, as well as with 3-(dimethylamino)propylamine, to obtain the respective N-substituted amides.

  DOI：

  10.1023/b:rujo.0000034974.67198.15
• 作为产物：
  描述：

  4-氯-3-硝基苯甲酸甲酯 、 N-甲基苯胺 在 barium carbonate 作用下， 以58%的产率得到4-甲基(苯基)氨基-3-硝基苯甲酸甲酯
  参考文献：
  名称：

  N-Methylcarbazole-3-carboxylic Acid and Its Amides

  摘要：

  N-Methylcarbazole-3-carboxylic acid was synthesized from N-methyl-2-amino-4-carboxydiphenylamine through the corresponding diazo compound by a modified Pschorr procedure. The acid was converted into N-methylcarbazole-3-carbonyl chloride which was treated with amines containing benzo- and aza-crown ether moieties, as well as with 3-(dimethylamino)propylamine, to obtain the respective N-substituted amides.

  DOI：

  10.1023/b:rujo.0000034974.67198.15

文献信息

• N-Methylcarbazole-3-carboxylic Acid and Its Amides
  作者：N. G. Plekhanova、D. V. Ovchinnikov、E. N. Glibin

  DOI：10.1023/b:rujo.0000034974.67198.15

  日期：2004.3

  N-Methylcarbazole-3-carboxylic acid was synthesized from N-methyl-2-amino-4-carboxydiphenylamine through the corresponding diazo compound by a modified Pschorr procedure. The acid was converted into N-methylcarbazole-3-carbonyl chloride which was treated with amines containing benzo- and aza-crown ether moieties, as well as with 3-(dimethylamino)propylamine, to obtain the respective N-substituted amides.