ethyl (7-oxo-1,3-diphenyl-1,7-dihydrobenzo[e][1,2,4]triazin-6-yl)carbamate | 1403990-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: ethyl (7-oxo-1,3-diphenyl-1,7-dihydrobenzo[e][1,2,4]triazin-6-yl)carbamate
• 英文别名: ethyl N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)carbamate
• CAS: 1403990-51-1
• 化学式: C₂₂H₁₈N₄O₃
• 分子量: 386.41
• InChiKey: JEOGOTPXLCSFJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (7-oxo-1,3-diphenyl-1,7-dihydrobenzo[e][1,2,4]triazin-6-yl)carbamate 在 tetraphosphorus decasulfide 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以80%的产率得到ethyl (7-oxo-1,3-diphenyl-1,7-dihydrobenzo[e][1,2,4]triazin-6-yl)carbamothioate
  参考文献：
  名称：

  From Blatter Radical to 7-Substituted 1,3-Diphenyl-1,4-dihydrothiazolo[5′,4′:4,5]benzo[1,2-e][1,2,4]triazin-4-yls: Toward Multifunctional Materials

  摘要：

  A Blatter radical is oxidized to benzotriazin-7(H)-one which after amination and subsequent acyl- and aroylation gives N-(benzotriazin-6-yl)carboxamides that undergo ring closure with P2S5 to afford the corresponding thiazolo[5',4':4,5]benzo[1,2-e][1,2,4]triazin-4-yls. These highly delocalized radicals are air stable and show good reversible electrochemical behavior.

  DOI：

  10.1021/ol302714j
• 作为产物：
  描述：

  1,3-diphenylbenzo[e][1,2,4]triazin-7(1H)-one 在 苄氧基胺盐酸盐 、 sodium hydride 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 13.25h， 生成 ethyl (7-oxo-1,3-diphenyl-1,7-dihydrobenzo[e][1,2,4]triazin-6-yl)carbamate
  参考文献：
  名称：

  From Blatter Radical to 7-Substituted 1,3-Diphenyl-1,4-dihydrothiazolo[5′,4′:4,5]benzo[1,2-e][1,2,4]triazin-4-yls: Toward Multifunctional Materials

  摘要：

  A Blatter radical is oxidized to benzotriazin-7(H)-one which after amination and subsequent acyl- and aroylation gives N-(benzotriazin-6-yl)carboxamides that undergo ring closure with P2S5 to afford the corresponding thiazolo[5',4':4,5]benzo[1,2-e][1,2,4]triazin-4-yls. These highly delocalized radicals are air stable and show good reversible electrochemical behavior.

  DOI：

  10.1021/ol302714j

文献信息

• From Blatter Radical to 7-Substituted 1,3-Diphenyl-1,4-dihydrothiazolo[5′,4′:4,5]benzo[1,2-<i>e</i>][1,2,4]triazin-4-yls: Toward Multifunctional Materials
  作者：Andrey A. Berezin、Christos P. Constantinides、Chryssoula Drouza、Maria Manoli、Panayiotis A. Koutentis

  DOI：10.1021/ol302714j

  日期：2012.11.2

  A Blatter radical is oxidized to benzotriazin-7(H)-one which after amination and subsequent acyl- and aroylation gives N-(benzotriazin-6-yl)carboxamides that undergo ring closure with P2S5 to afford the corresponding thiazolo[5',4':4,5]benzo[1,2-e][1,2,4]triazin-4-yls. These highly delocalized radicals are air stable and show good reversible electrochemical behavior.