13-Benzyl-1,9,10,11,13-pentazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-2,4,6,8,11,15,17,19-octaen-14-one | 141938-81-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 13-Benzyl-1,9,10,11,13-pentazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-2,4,6,8,11,15,17,19-octaen-14-one
• CAS: 141938-81-0
• 化学式: C₂₂H₁₅N₅O
• 分子量: 365.394
• InChiKey: XVPLSCYDJODSLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-叠氮基苯甲醛 在 溶剂黄146 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 39.0h， 生成 13-Benzyl-1,9,10,11,13-pentazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-2,4,6,8,11,15,17,19-octaen-14-one
  参考文献：
  名称：

  Preparation, reactivity and synthetic applications of bis(iminophosphoranes): new entries to fused 1,3,5-benzotriazepines, 1,3-benzodiazepines and indole derivatives

  摘要：

  An aza-Wittig-type reaction of bis(iminophosphorane) 2 with two moles of alkyl or aryl iso(thio)cyanates leads to indazolo[2'3':1,5][1,2,4]triazolo[4,3-a][1,3,5]benzotriazepines 7. The bis(iminophosphorane) 4 reacts with aromatic iso(thio)cyanates to give the corresponding iminophosphoranes 13 derived from the indole ring. Compound 4 also reacts with acyl chlorides to give [1,3]-benzodiazepines 19. The crystal structure of compound 13c has been determined.

  DOI：

  10.1016/s0040-4020(01)92251-3

文献信息

• Preparation, reactivity and synthetic applications of bis(iminophosphoranes): new entries to fused 1,3,5-benzotriazepines, 1,3-benzodiazepines and indole derivatives
  作者：Pedro Molina、Antonio Arques、Asunción Alías、M.Victoria Vinader、M.C. Foces-Foces、F. Hernández-Cano

  DOI：10.1016/s0040-4020(01)92251-3

  日期：1992.4

  An aza-Wittig-type reaction of bis(iminophosphorane) 2 with two moles of alkyl or aryl iso(thio)cyanates leads to indazolo[2'3':1,5][1,2,4]triazolo[4,3-a][1,3,5]benzotriazepines 7. The bis(iminophosphorane) 4 reacts with aromatic iso(thio)cyanates to give the corresponding iminophosphoranes 13 derived from the indole ring. Compound 4 also reacts with acyl chlorides to give [1,3]-benzodiazepines 19. The crystal structure of compound 13c has been determined.