2-(Trifluoromethyl)-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene | 199738-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(Trifluoromethyl)-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene
• CAS: 199738-60-8
• 化学式: C₂₀H₁₁F₃N₂
• 分子量: 336.316
• InChiKey: LQSRAFQPDIAHEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(Trifluoromethyl)-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以83%的产率得到2-(Trifluoromethyl)-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene
  参考文献：
  名称：

  Reactions of 1,2-Bis(1H-indol-2-yl)ethane: Formation of Indolo[2,3-c]carbazole and Cyclohept[1,2-b:5,4-b′]bisindole Derivatives

  摘要：

  1,2-Bis(1H-indol-2-yl)ethane (9) has been prepared and converted into indolo[2,3-c]carbazole (8) using palladium acetate in refluxing acetic acid. Reaction of 9 with CoF3 in hot TFA led to isolation of cyclohept[1,2-b:5,4-b']bisindole derivatives 11 and 12, which could be elaborated into further derivatives. Treatment of 9 with orthoesters, aldehydes and ketones under acidic conditions afforded additional bisindoles containing a seven-membered ring. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00100-9
• 作为产物：
  描述：

  2-甲基吲哚 、 alkaline earth salt of/the/ methylsulfuric acid 在 cobalt (III) fluoride 作用下， 反应 18.0h， 生成 2-(Trifluoromethyl)-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),2,4,6,8,10,12,16,18,20-decaene
  参考文献：
  名称：

  Reactions of 1,2-Bis(1H-indol-2-yl)ethane: Formation of Indolo[2,3-c]carbazole and Cyclohept[1,2-b:5,4-b′]bisindole Derivatives

  摘要：

  1,2-Bis(1H-indol-2-yl)ethane (9) has been prepared and converted into indolo[2,3-c]carbazole (8) using palladium acetate in refluxing acetic acid. Reaction of 9 with CoF3 in hot TFA led to isolation of cyclohept[1,2-b:5,4-b']bisindole derivatives 11 and 12, which could be elaborated into further derivatives. Treatment of 9 with orthoesters, aldehydes and ketones under acidic conditions afforded additional bisindoles containing a seven-membered ring. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00100-9