3-Pentyl-4,5,6,14,20-pentazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,14,16,18-nonaene | 1450725-00-4

• 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: 3-Pentyl-4,5,6,14,20-pentazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,14,16,18-nonaene
• 英文别名: 3-pentyl-4,5,6,14,20-pentazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,14,16,18-nonaene
• CAS: 1450725-00-4
• 化学式: C₂₀H₁₉N₅
• 分子量: 329.404
• InChiKey: RSJIURDJKBGWKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  47.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-溴-1-(2-溴苯基)乙酮 在 N-溴代丁二酰亚胺(NBS) 、 sodium azide 、 copper(II) choride dihydrate 、 碳酸氢钠 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 27.0h， 生成 3-Pentyl-4,5,6,14,20-pentazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,14,16,18-nonaene
  参考文献：
  名称：

  Copper-Catalyzed Tandem Azide–Alkyne Cycloaddition, Ullmann Type C–N Coupling, and Intramolecular Direct Arylation

  摘要：

  A ligand-free copper-catalyzed tandem azide-alkyne cycloaddition (CuAAC), Ullmann-type C-N coupling, and intramolecular direct arylation has been described. The designed strategy resulted in the synthesis of a novel trazole-fused azaheterocycle framework. The reaction gave good yields (59-77%) of 1,2,3-triazole-fused imidazo[1,2-a]pyridines in a single step.

  DOI：

  10.1021/ol401655r

文献信息

• Copper-Catalyzed Tandem Azide–Alkyne Cycloaddition, Ullmann Type C–N Coupling, and Intramolecular Direct Arylation
  作者：Kasiviswanadharaju Pericherla、Amitabh Jha、Bharti Khungar、Anil Kumar

  DOI：10.1021/ol401655r

  日期：2013.9.6

  A ligand-free copper-catalyzed tandem azide-alkyne cycloaddition (CuAAC), Ullmann-type C-N coupling, and intramolecular direct arylation has been described. The designed strategy resulted in the synthesis of a novel trazole-fused azaheterocycle framework. The reaction gave good yields (59-77%) of 1,2,3-triazole-fused imidazo[1,2-a]pyridines in a single step.