5-(2-amino-1,2-dicyanovinylenecarbamoyl)pyridazine-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(2-amino-1,2-dicyanovinylenecarbamoyl)pyridazine-4-carboxylic acid
• 英文别名: N-(4-carboxypyridazine-5-carbonyl)diaminomaleonitrile；5-[[(Z)-2-amino-1,2-dicyanoethenyl]carbamoyl]pyridazine-4-carboxylic acid
• 化学式: C₁₀H₆N₆O₃
• 分子量: 258.196
• InChiKey: VNRNFMADGDENSK-FPLPWBNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  166
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  furo<3,4-d>pyridazine-5,7-dione 、 二氨基马来腈 以 四氢呋喃 为溶剂， 以96.8%的产率得到5-(2-amino-1,2-dicyanovinylenecarbamoyl)pyridazine-4-carboxylic acid
  参考文献：
  名称：

  Chimichi, Stefano; Nesi, Rodolfo; Sio, Francesco De, Gazzetta Chimica Italiana, 1982, vol. 112, # 7/8, p. 249 - 254

  摘要：

  DOI：

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：——
• Carbon-13 nuclear magnetic resonance study of a new ring-chain tautomerism of some pyridazine derivatives
  作者：Rodolfo Nesi、Stefano Chimichi、Francesco De Sio、Mirella Scotton

  DOI：10.1002/omr.1270210111

  日期：1983.1

  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.