1,4-diacetonyl-3,6-dinitropyrazolo<4,3-c>pyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡唑类
• 英文名称: 1,4-diacetonyl-3,6-dinitropyrazolo<4,3-c>pyrazole
• 英文别名: 1,4-Diacetonyl-3,6-dinitropyrazolo[4,3-c]pyrazole；1-[3,6-dinitro-1-(2-oxopropyl)pyrazolo[4,3-c]pyrazol-4-yl]propan-2-one
• 化学式: C₁₀H₁₀N₆O₆
• 分子量: 310.226
• InChiKey: SYDXWWSMUHHKMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  161
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3,6-dinitropyrazolo[4,3-c]pyrazole 、 溴丙酮 在 氢氧化钾 、 四丁基溴化铵 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 1.0h， 以82%的产率得到1,4-diacetonyl-3,6-dinitropyrazolo<4,3-c>pyrazole
  参考文献：
  名称：

  Nitropyrazoles

  摘要：

  A method of synthesizing nitro derivatives of 1H,4H-pyrazolo[4,3-c]pyrazole is developed, and some of its transformations are studied. 3-Methyl-6-nitro-, 3-carboxy(methoxy-carbonyl, carbamoyl)-6-nitro-, 3-amino-6-nitro-, 3-nitro-, 3,6-dinitro-, 1,4-diacetonyl-3,6-dinitro-, and 1H,4H-3-aminopyrazolo[4,3-c]pyrazoles were obtained from 1H,4H-3-methylpyrazolo[4,3-c]pyrazole. Unsubstituted 1H,4H-pyrazolo[4,3-c]pyrazole, the first member of this series, was obtained for the first time. The compounds prepared were characterized by H-1, C-13, N-14, and N-15 NMR spectroscopy. NH-Acidity and basicity of the series of pyrazolo[4,3-c]pyrazoles synthesized is studied and the effect of the fused pyrazole ring on these properties is examined.

  DOI：

  10.1007/bf00704200