3,5-dicarboxy-1,7-bis(2,4-dinitrophenyl)dipyrazolo<3,4-b;4',3'-e>pyrazine | 180724-47-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-dicarboxy-1,7-bis(2,4-dinitrophenyl)dipyrazolo<3,4-b;4',3'-e>pyrazine
• 英文别名: 4,12-Bis(2,4-dinitrophenyl)-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene-6,10-dicarboxylic acid
• CAS: 180724-47-4
• 化学式: C₂₀H₈N₁₀O₁₂
• 分子量: 580.343
• InChiKey: FKZHNCWRECMUAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  319
• 氢给体数：
  2
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  3,5-dicarboxy-1,7-bis(2,4-dinitrophenyl)dipyrazolo<3,4-b;4',3'-e>pyrazine 在 ammonium hydroxide 、 硫酸 、 硝酸 作用下， 反应 16.0h， 生成 1H,7H-dinitrodipyrazolo<3,4-b;4',3'-e>pyrazine
  参考文献：
  名称：

  Nitropyrazoles

  摘要：

  Unsubstituted 1H,7H-dipyrazolo[3,4-b-,4',3'-e]pyrazine has been synthesized for the first time starting from 5-amino-3-methyl-1-phenylpyrazole. Its nitration to form C- and N-dinitro-substituted derivatives has been studied. The molecular structure of 3,5-dinitro-1H,7H-dipyrazolo[3,4-b;4',3'-e]pyrazine has been established by X-ray structural investigation; the NH acidity of this compound and the orientation of its alkylation with bromoacetone have also been determined.

  DOI：

  10.1007/bf00702009
• 作为产物：
  描述：

  3,5-dimethyl-1,7-diphenylbispyrazolo<3,4-b;4',3'-e>pyrazine 在 sodium dichromate 、 硫酸 、 硝酸 作用下， 以 硫酸 为溶剂， 反应 60.0h， 生成 3,5-dicarboxy-1,7-bis(2,4-dinitrophenyl)dipyrazolo<3,4-b;4',3'-e>pyrazine
  参考文献：
  名称：

  Nitropyrazoles

  摘要：

  Unsubstituted 1H,7H-dipyrazolo[3,4-b-,4',3'-e]pyrazine has been synthesized for the first time starting from 5-amino-3-methyl-1-phenylpyrazole. Its nitration to form C- and N-dinitro-substituted derivatives has been studied. The molecular structure of 3,5-dinitro-1H,7H-dipyrazolo[3,4-b;4',3'-e]pyrazine has been established by X-ray structural investigation; the NH acidity of this compound and the orientation of its alkylation with bromoacetone have also been determined.

  DOI：

  10.1007/bf00702009