6,8-Dimethyl-2,3-diphenyl-1-hydroxypyrrolo<1,2-a>pyrazine | 135613-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 6,8-Dimethyl-2,3-diphenyl-1-hydroxypyrrolo<1,2-a>pyrazine
• 英文别名: 1,3-Dimethyl-6,7-diphenylpyrrolo[1,2-a]pyrazin-8-ol
• CAS: 135613-57-9
• 化学式: C₂₁H₁₈N₂O
• 分子量: 314.387
• InChiKey: AFQOTUGLONMBEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  37.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 6,8-Dimethyl-2,3-diphenyl-1-hydroxypyrrolo<1,2-a>pyrazine 在 吡啶 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-Acetoxy-6,8-dimethyl-2,3-diphenylpyrrolo<1,2-a>pyrazine
  参考文献：
  名称：

  Indolizines. 5. Preparation and structural assignments of azaindolizinols

  摘要：

  Diphenylcyclopropenone reacts smoothly with a variety of aromatic N-heterocycles to provide aza- and benzazaindolizinols. Although known in the literature, these compounds had been assigned incorrect structures. The preparation and physical properties of a number of derivatives, along with unequivocal assignments of structure based on a variety of NMR techniques, is described herein.

  DOI：

  10.1021/jo00019a024
• 作为产物：
  描述：

  2,6-二甲基吡嗪 、 二苯基环丙烯酮 以 1,4-二氧六环 为溶剂， 以80%的产率得到6,8-Dimethyl-2,3-diphenyl-1-hydroxypyrrolo<1,2-a>pyrazine
  参考文献：
  名称：

  Indolizines. 5. Preparation and structural assignments of azaindolizinols

  摘要：

  Diphenylcyclopropenone reacts smoothly with a variety of aromatic N-heterocycles to provide aza- and benzazaindolizinols. Although known in the literature, these compounds had been assigned incorrect structures. The preparation and physical properties of a number of derivatives, along with unequivocal assignments of structure based on a variety of NMR techniques, is described herein.

  DOI：

  10.1021/jo00019a024