3,3,7,7-tetramethylpyrazolo[3,4-f]indazole-4,8(3H,7H)-dione | 1417734-30-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3,7,7-tetramethylpyrazolo[3,4-f]indazole-4,8(3H,7H)-dione
• 英文别名: 3,3,7,7-Tetramethylpyrazolo[3,4-f]indazole-4,8-dione；3,3,7,7-tetramethylpyrazolo[3,4-f]indazole-4,8-dione
• CAS: 1417734-30-5
• 化学式: C₁₂H₁₂N₄O₂
• 分子量: 244.253
• InChiKey: BYMQYTUEPFFXSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,3,7,7-tetramethyl-3,7-dihydropyrazolo[3,4-f]indazole-4,8-diol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以55%的产率得到3,3,7,7-tetramethylpyrazolo[3,4-f]indazole-4,8(3H,7H)-dione
  参考文献：
  名称：

  Chemo- and Regioselective 1,3-Dipolar Cycloaddition of 2-Diazopropane over 1,4-Benzoquinone: Synthesis of New Pyrazoloquinones

  摘要：

  1,3-Dipolar cycloaddition reaction of 2-diazopropane 1 with 1,4-benzoquinone 2 carried out at -20 degrees C led to a minor mono-cycloadduct 4 and mixture of bis-cycloadducts 6 and 7. The same addition realized with 3H-pyrazole 7 at -60 degrees C for 2 h yields a mixture of compounds 8 and 9 and results in O-alkylation. The reaction of 3H-pyrazoles 4 and 7 with dimethylsulfoxide and oxalyl chloride under Swern conditions led to pyrazolenines 11 and 12.

  DOI：

  10.1080/00397911.2011.610552

文献信息

• Chemo- and Regioselective 1,3-Dipolar Cycloaddition of 2-Diazopropane over 1,4-Benzoquinone: Synthesis of New Pyrazoloquinones
  作者：Naoufel Ben Hamadi、Jalel Lachheb、Taha Guerfel、Moncef Msaddek

  DOI：10.1080/00397911.2011.610552

  日期：2013.2.1

  1,3-Dipolar cycloaddition reaction of 2-diazopropane 1 with 1,4-benzoquinone 2 carried out at -20 degrees C led to a minor mono-cycloadduct 4 and mixture of bis-cycloadducts 6 and 7. The same addition realized with 3H-pyrazole 7 at -60 degrees C for 2 h yields a mixture of compounds 8 and 9 and results in O-alkylation. The reaction of 3H-pyrazoles 4 and 7 with dimethylsulfoxide and oxalyl chloride under Swern conditions led to pyrazolenines 11 and 12.