1,7-diacetonyl-3,5-dinitrodipyrazolo<3,4-b;4',3'-e>pyrazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并[3,4-b]吡嗪
• 英文名称: 1,7-diacetonyl-3,5-dinitrodipyrazolo<3,4-b;4',3'-e>pyrazine
• 英文别名: 1-[6,10-Dinitro-12-(2-oxopropyl)-2,4,5,8,11,12-hexazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-4-yl]propan-2-one
• 化学式: C₁₂H₁₀N₈O₆
• 分子量: 362.261
• InChiKey: RLLDDBYRMTWLPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  187
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3,5-dimethyl-1,7-diphenylbispyrazolo<3,4-b;4',3'-e>pyrazine 在 ammonium hydroxide 、 sodium dichromate 、 硫酸 、 lithium methanolate 、 硝酸 作用下， 以 甲醇 、 硫酸 、 1,2-二氯乙烷 为溶剂， 反应 81.0h， 生成 1,7-diacetonyl-3,5-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

文献信息

• Nitropyrazoles
  作者：I. L. Dalinger、N. I. Zubanova、V. S. Kuz'min、S. A. Shevelev

  DOI：10.1007/bf00702009

  日期：1993.7

  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.