N,13-bis(4-fluorophenyl)-1,9,10,11,13,15-hexazapentacyclo[10.9.0.02,10.03,8.016,21]henicosa-2,4,6,8,11,14,16,18,20-nonaen-14-amine | 141938-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N,13-bis(4-fluorophenyl)-1,9,10,11,13,15-hexazapentacyclo[10.9.0.02,10.03,8.016,21]henicosa-2,4,6,8,11,14,16,18,20-nonaen-14-amine
• CAS: 141938-79-6
• 化学式: C₂₇H₁₇F₂N₇
• 分子量: 477.476
• InChiKey: NXZRCVBYNCFZQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基苯基叠氮化物 在 溶剂黄146 作用下， 以 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 46.0h， 生成 N,13-bis(4-fluorophenyl)-1,9,10,11,13,15-hexazapentacyclo[10.9.0.02,10.03,8.016,21]henicosa-2,4,6,8,11,14,16,18,20-nonaen-14-amine
  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.