1-ethyl-2,5-diphenyl-1H-1,3,4-benzotriazepine

• 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: 1-ethyl-2,5-diphenyl-1H-1,3,4-benzotriazepine
• 英文别名: 1-ethyl-2,5-diphenyl-1,3,4-benzotriazepine
• 化学式: C₂₂H₁₉N₃
• 分子量: 325.413
• InChiKey: BPSOEBRXGWACTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  28
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-ethyl-2,5-diphenyl-1H-1,3,4-benzotriazepine 在 盐酸 作用下， 生成 苯甲酸 、 (2-(ethylamino)phenyl)(phenyl)methanone
  参考文献：
  名称：

  Tetrazoles: XLVI. 3H-1,3,4-Benzo- and Pyrido[6,7-b][1,3,4]triazepines from 5-Aryltetrazoles. Synthesis and Chemical Properties

  摘要：

  2,5-Disubstituted 3H-1,3,4-benzotriazepines were synthesized by heating of N-imidoyltetrazoles in toluene at 110degreesC. Alkylation of these compounds, as well as of 3H-pyrido[6,7-b][1,3,4]triazepines with alkyl halides in THF in the presence of potassium tert-butoxide gave the corresponding 1-alkyl derivatives in good yield and with high regioselectivity.

  DOI：

  10.1023/b:rujo.0000010575.49890.da
• 作为产物：
  描述：

  2,5-diphenyl-3H-1,3,4-benzotriazepine 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以57%的产率得到1-ethyl-2,5-diphenyl-1H-1,3,4-benzotriazepine
  参考文献：
  名称：

  Tetrazoles: XLVI. 3H-1,3,4-Benzo- and Pyrido[6,7-b][1,3,4]triazepines from 5-Aryltetrazoles. Synthesis and Chemical Properties

  摘要：

  2,5-Disubstituted 3H-1,3,4-benzotriazepines were synthesized by heating of N-imidoyltetrazoles in toluene at 110degreesC. Alkylation of these compounds, as well as of 3H-pyrido[6,7-b][1,3,4]triazepines with alkyl halides in THF in the presence of potassium tert-butoxide gave the corresponding 1-alkyl derivatives in good yield and with high regioselectivity.

  DOI：

  10.1023/b:rujo.0000010575.49890.da

文献信息

• Tetrazoles: XLVI. 3H-1,3,4-Benzo- and Pyrido[6,7-b][1,3,4]triazepines from 5-Aryltetrazoles. Synthesis and Chemical Properties
  作者：V. V. Nikulin、T. V. Artamonova、G. I. Koldobskii

  DOI：10.1023/b:rujo.0000010575.49890.da

  日期：2003.10

  2,5-Disubstituted 3H-1,3,4-benzotriazepines were synthesized by heating of N-imidoyltetrazoles in toluene at 110degreesC. Alkylation of these compounds, as well as of 3H-pyrido[6,7-b][1,3,4]triazepines with alkyl halides in THF in the presence of potassium tert-butoxide gave the corresponding 1-alkyl derivatives in good yield and with high regioselectivity.