8-diphenylacetylamino-3-phenyl-1-azaazulene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 8-diphenylacetylamino-3-phenyl-1-azaazulene
• 化学式: C₂₉H₂₂N₂O
• 分子量: 414.506
• InChiKey: AVMVWEHMFXCIEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  41.99
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  二苯基乙酰氯 、 8-diphenylacetylamino-3-phenyl-1-azaazulene 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以43%的产率得到2-diphenylmethylene-4-phenyl-2,2a-dihydro-1,2a-diazacyclopent[c,d]azulene
  参考文献：
  名称：

  Reaction of 8-Amino-3-phenyl-1-azaazulene with Chloro-, Phenyl-, and Diphenylketene

  摘要：

  Chloroketene reacted with 8-amino-3-phenyl-1-azaazulene (1) to give 2,2a-dihydro-2a-azacyclopent[cd]azulen-2-one derivative (2a), as a cycloadduct, along with ethyl (3-phenyl-1-azaazulen-8-yl)aminocarboxylate (3a) and 8-chloroacetylaniino-3-phenyl-1-azaazulene (4a). Compound (2a) was formed by the reaction of 4a with chloroketene. Formation mechanism of 2a, 3a and 4 was discussed. Phenylketene and diphenylketene reacted with 1 to give 8-phenylacetylamino- (4b) and 8-diphenylacetylamino-3-phenyl-1-azaazulene (6) as major products, respectively. Further treatment of 6 with diphenylketene gave 2-diphenylmethylene-4-phenyl-2,2a-dihydro-1,2a-diazacyclopent[cd]azulene (7).

  DOI：

  10.3987/com-02-s18
• 作为产物：
  描述：

  二苯基乙酰氯 、 8-amino-3-phenyl-1-azaazulene 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以88%的产率得到8-diphenylacetylamino-3-phenyl-1-azaazulene
  参考文献：
  名称：

  Reaction of 8-Amino-3-phenyl-1-azaazulene with Chloro-, Phenyl-, and Diphenylketene

  摘要：

  Chloroketene reacted with 8-amino-3-phenyl-1-azaazulene (1) to give 2,2a-dihydro-2a-azacyclopent[cd]azulen-2-one derivative (2a), as a cycloadduct, along with ethyl (3-phenyl-1-azaazulen-8-yl)aminocarboxylate (3a) and 8-chloroacetylaniino-3-phenyl-1-azaazulene (4a). Compound (2a) was formed by the reaction of 4a with chloroketene. Formation mechanism of 2a, 3a and 4 was discussed. Phenylketene and diphenylketene reacted with 1 to give 8-phenylacetylamino- (4b) and 8-diphenylacetylamino-3-phenyl-1-azaazulene (6) as major products, respectively. Further treatment of 6 with diphenylketene gave 2-diphenylmethylene-4-phenyl-2,2a-dihydro-1,2a-diazacyclopent[cd]azulene (7).

  DOI：

  10.3987/com-02-s18