2-phenyl-4,5,8,9-tetrahydro-5,8-diphenyl[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione | 10316-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-phenyl-4,5,8,9-tetrahydro-5,8-diphenyl[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
• 英文别名: 5,8-Dihydro-2,5,8-triphenyl-s-triazolo<1,2-a>pyridazin-1,3-(2H)-dion；2,5,8-triphenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione；2,5,8-Triphenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
• CAS: 10316-51-5
• 化学式: C₂₄H₁₉N₃O₂
• 分子量: 381.434
• InChiKey: KBRGLGCRBHTEMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  43.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-苯基脲唑 以 硫酸 、 甲苯 、 乙腈 为溶剂， 生成 2-phenyl-4,5,8,9-tetrahydro-5,8-diphenyl[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
  参考文献：
  名称：

  Electrosynthesis of Cyclic alpha-Carbonylazo Compounds. Chemical Stability of the Electrogenerated Dienophiles and in situ Trapping of Dienes.

  摘要：

  Dienophilic cyclic alpha-carbonylazo compounds were prepared electrochemically by oxidation of the corresponding hydrazino compounds using a flow cell fitted with a graphite felt anode in acidic methanol or acetonitrile. The instability of these compounds in methanol was first studied. In situ Diels-Alder additions of these electrogenerated dienophiles and various dienes were performed in relatively good yields in acidic methanol or acetonitrile.

  DOI：

  10.3891/acta.chem.scand.53-0807