5-(o-hydroxyphenylcarbamoyl)pyridazine-4-carboxylic acid | 75722-58-6

• 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: 5-(o-hydroxyphenylcarbamoyl)pyridazine-4-carboxylic acid
• 英文别名: 5-[(2-Hydroxyphenyl)carbamoyl]pyridazine-4-carboxylic acid
• CAS: 75722-58-6
• 化学式: C₁₂H₉N₃O₄
• 分子量: 259.221
• InChiKey: OTZXQDBVSHZMLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(o-hydroxyphenylcarbamoyl)pyridazine-4-carboxylic acid 生成 3'-oxospiro[1H-pyridazine-4,2'-4H-1,4-benzoxazine]-5-carboxylic acid
  参考文献：
  名称：

  CHIMICHI S.; NESI R.; SCOTTON M.; MANNUCCI C.; ADEMBRI G., J. CHEM. SOC. PERKIN TRANS., 1980, PART 2, NO 9, 1339-1343

  摘要：

  DOI：
• 作为产物：
  描述：

  furo<3,4-d>pyridazine-5,7-dione 、 2-氨基苯酚 生成 5-(o-hydroxyphenylcarbamoyl)pyridazine-4-carboxylic acid
  参考文献：
  名称：

  Carbon-13 nuclear magnetic resonance study of a new ring-chain tautomerism of some pyridazine derivatives

  摘要：

  AbstractThe 13C NMR spectra of a number of pyridazine derivatives have been recorded in DMSO‐d6 solution and analysed. Examination of the most diagnostic resonances, with particular emphasis on those arising from the pyridazine ring system, enabled the ready establishment of the presence of a ring‐chain tautomerism in 5‐(o‐aminophenylcarbamoyl)pyridazine‐4‐carboxylic acid, methyl 5‐(o‐aminophenylcarbamoyl)pyridazine‐4‐carboxylate, 5‐(o‐aminophenylcarbamoyl)‐3,6,‐dimethylpyridazine‐4‐carboxylic acid and 5‐(2‐amino‐1,2‐dicyanovinylenecarbamoyl)pyridazine‐4‐carboxylic acid. This gave rise to 3′,4′‐dihydro‐3′‐oxospiro[pyridazine‐5(2H),2′(1H)‐quinoxaline]‐4‐carboxylic acid, methyl 3′,4′‐dihydro‐3′oxospiro[pyridazine‐5(2H),2′(1′H)‐quinoxaline]‐4‐carboxylate, 3′,4′‐dihydro‐3′‐oxo‐3,6‐dimethylspiro[pyridazine‐5(2H), 2′(1′H)‐quinoxaline]‐4‐carboxylic acid and 5‐oxo‐2,3‐dicyano‐1,4,8,9‐tetraazaspiro[5.5]undeca‐2,7,10‐triene‐11‐carboxylic acid, respectively.

  DOI：

  10.1002/omr.1270210111

文献信息

• Chimichi, Stefano; Nesi, Rodolfo; Sio, Francesco De, Gazzetta Chimica Italiana, 1982, vol. 112, # 7/8, p. 249 - 254
  作者：Chimichi, Stefano、Nesi, Rodolfo、Sio, Francesco De、Pepino, Roberto、Degl'Innocenti, Alessandro

  DOI：——

  日期：——