3,6-diamino-5-cyano-4-(5-nitrofur-2-yl)-pyrido<2,3-c>pyrazol | 140139-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 英文名称: 3,6-diamino-5-cyano-4-(5-nitrofur-2-yl)-pyrido<2,3-c>pyrazol
• 英文别名: 3,5-Pyridinedicarbonitrile, 2-amino-6-(dicyanomethyl)-4-(5-nitro-2-furanyl)-；3,6-diamino-4-(5-nitrofuran-2-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
• CAS: 140139-68-0
• 化学式: C₁₁H₇N₇O₃
• 分子量: 285.222
• InChiKey: GANYOCZZQKGCQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  176
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-Amino-6-chloro-4-(5-nitro-furan-2-yl)-pyridine-3,5-dicarbonitrile 在 一水合肼 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以79%的产率得到3,6-diamino-5-cyano-4-(5-nitrofur-2-yl)-pyrido<2,3-c>pyrazol
  参考文献：
  名称：

  Furylvinylhalogenides, XII: Reactions of ?-chloro-?-cyano-?-(5-nitrofur-2-yl)-acrylic acid derivatives with malonic acid derivatives

  摘要：

  Reactions of beta-chloro-alpha-cyano-beta-(5-nitrofur-2-yl)-acrylic acid derivatives with malonic acid derivatives in the presence of collidine yield the allyl anions 3 a-d. The pyridines 4, 8 or 9 are formed by cyclization of 3 under acidic conditions. The 2-chloropyridine 4 a reacts with nucleophiles under substitution. The treatment of ethyl dichloropropionate 1 b with C - H-acidic compounds provided the cyclopropanes 11 or 12, the configurations of which were determined by C-13-NMR spectroscopy. The results of the X-ray structure analysis of 8 c are discussed.

  DOI：

  10.1007/bf00811112

文献信息

• Furylvinylhalogenides, XII: Reactions of ?-chloro-?-cyano-?-(5-nitrofur-2-yl)-acrylic acid derivatives with malonic acid derivatives
  作者：Siegfried Vieth、Egon Gr�ndemann、Klaus J�hnisch、Gabriele Winter、G�nter Reck

  DOI：10.1007/bf00811112

  日期：1991.12

  Reactions of beta-chloro-alpha-cyano-beta-(5-nitrofur-2-yl)-acrylic acid derivatives with malonic acid derivatives in the presence of collidine yield the allyl anions 3 a-d. The pyridines 4, 8 or 9 are formed by cyclization of 3 under acidic conditions. The 2-chloropyridine 4 a reacts with nucleophiles under substitution. The treatment of ethyl dichloropropionate 1 b with C - H-acidic compounds provided the cyclopropanes 11 or 12, the configurations of which were determined by C-13-NMR spectroscopy. The results of the X-ray structure analysis of 8 c are discussed.

表征谱图