3-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6-dihydrofuro[2,3-c]pyridazine | 1202249-30-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6-dihydrofuro[2,3-c]pyridazine
• 英文别名: 3-(3,5-Dimethyl-1h-pyrazol-1-yl)-5,6-dihydro-furo[2,3-c]pyridazine；3-(3,5-dimethylpyrazol-1-yl)-5,6-dihydrofuro[2,3-c]pyridazine
• CAS: 1202249-30-6
• 化学式: C₁₁H₁₂N₄O
• 分子量: 216.242
• InChiKey: RANZIVAZRBEVOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,6-二(3,5-二甲基-1H-吡唑-1-基)-1,2,4,5-四嗪 、 3-丁炔-1-醇 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 3-(3,5-dimethyl-1H-pyrazol-1-yl)-5,6-dihydrofuro[2,3-c]pyridazine 、 2-[3,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-4-yl]ethanol
  参考文献：
  名称：

  Replacement of dimethylpyrazolyl group in 1,2,4,5-tetrazines by aliphatic alcohols and water

  摘要：

  Reactions of 3,6-bis(4-R-3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines and 3-amino-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines with aliphatic alcohols and water in the presence of a base involved replacement of the dimethylpyrazolyl group and resulted in the formation of mono- and dialkoxy-1,2,4,5-tetrazines and 6-substituted 3-hydroxy-1,2,4,5-tetrazines. Dissociation constants of the latter were determined by potentiometric titration.

  DOI：

  10.1134/s1070428009070197

文献信息

• Replacement of dimethylpyrazolyl group in 1,2,4,5-tetrazines by aliphatic alcohols and water
  作者：R. I. Ishmetova、N. I. Latosh、I. N. Ganebnykh、N. K. Ignatenko、S. G. Tolshchina、G. L. Rusinov

  DOI：10.1134/s1070428009070197

  日期：2009.7

  Reactions of 3,6-bis(4-R-3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines and 3-amino-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines with aliphatic alcohols and water in the presence of a base involved replacement of the dimethylpyrazolyl group and resulted in the formation of mono- and dialkoxy-1,2,4,5-tetrazines and 6-substituted 3-hydroxy-1,2,4,5-tetrazines. Dissociation constants of the latter were determined by potentiometric titration.