6-Iodopyrazolo[1,2-a]pyrazole-3,5-dione | 181298-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-Iodopyrazolo[1,2-a]pyrazole-3,5-dione
• CAS: 181298-36-2
• 化学式: C₆H₃IN₂O₂
• 分子量: 262.007
• InChiKey: LAPVSQYLIZXLHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二(三正丁基甲锡烷基)乙炔 、 6-Iodopyrazolo[1,2-a]pyrazole-3,5-dione 在 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以21%的产率得到6-[2-(3,5-Dioxopyrazolo[1,2-a]pyrazol-6-yl)ethynyl]pyrazolo[1,2-a]pyrazole-3,5-dione
  参考文献：
  名称：

  Bimane Acetylenes and Diacetylenes. Bimanes. 33

  摘要：

  Two series (4,6-dihydro and 4,6-dimethyl) of syn-bimanes [1,5-diazabicyclo[3.3.0]octa-3,6-diene-2,8-diones] have been converted to acetylene and diacetylene derivatives. Their chemical and photophysical properties are reported. The 3-(and 6-)iodo (diiodo) derivatives are the best choices for Stille or Heck condensations with acetylenes or acrylates. Desilylation of (trimethylsilyl)acetylenes is best carried out with silver nitrate followed by lithium bromide. The acetylenes and diacetylenes are quite stable and highly fluorescent and represent candidate units for incorporation into polymers.

  DOI：

  10.1021/jo951830b
• 作为产物：
  描述：

  syn-(hydro, chloro)bimane 在 palladium on activated charcoal 氢气 、 potassium acetate 、 一氯化碘 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 生成 6-Iodopyrazolo[1,2-a]pyrazole-3,5-dione
  参考文献：
  名称：

  Bimane Acetylenes and Diacetylenes. Bimanes. 33

  摘要：

  Two series (4,6-dihydro and 4,6-dimethyl) of syn-bimanes [1,5-diazabicyclo[3.3.0]octa-3,6-diene-2,8-diones] have been converted to acetylene and diacetylene derivatives. Their chemical and photophysical properties are reported. The 3-(and 6-)iodo (diiodo) derivatives are the best choices for Stille or Heck condensations with acetylenes or acrylates. Desilylation of (trimethylsilyl)acetylenes is best carried out with silver nitrate followed by lithium bromide. The acetylenes and diacetylenes are quite stable and highly fluorescent and represent candidate units for incorporation into polymers.

  DOI：

  10.1021/jo951830b