| 1590360-71-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• CAS: 1590360-71-6
• 化学式: C₂₂H₁₉N₅O
• 分子量: 369.426
• InChiKey: RZHRRTQNMJIMSO-UHFFFAOYSA-N

物化性质

• 沸点：
  642.1±65.0 °C(predicted)
• 密度：
  1.20±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.86
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 四丁基溴化铵 、 caesium carbonate 、 copper(I) bromide 作用下， 以 1,4-二氧六环 为溶剂， 反应 10.0h， 以73.1%的产率得到3-benzyl-7-(2-methoxybenzyl)-3H-imidazo[2,1-i]purine
  参考文献：
  名称：

  Copper-Catalyzed Intramolecular Cyclization ofN-Propargyl-Adenine: Synthesis of Purine-Fused Tricyclics

  摘要：

  A novel protocol to construct fluorescent purine-fused tricyclic products via intramolecular cyclization of N-propargyl-adenine has been developed. With CuBr as the catalyst, a series of purine-fused tricyclic products were obtained in good to excellent yields (19 examples, 75-89% yields). When R-2 was a hydrogen atom in N-propargyl-adenines, the reactions only afforded the endocyclic double bond products. When R-2 was an aryl group, the electron-onating groups favored the endocyclic double bond products, while the electron-withdrawing groups favored the exocyclic double bond products.

  DOI：

  10.1021/jo5001687
• 作为产物：
  描述：

  6-氯-9-(苯基甲基)-9H-嘌呤 在 copper(l) iodide 、 trans-bis(triphenylphosphine)palladium dichloride 、 三乙胺 作用下， 以 乙醇 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Copper-Catalyzed Intramolecular Cyclization ofN-Propargyl-Adenine: Synthesis of Purine-Fused Tricyclics

  摘要：

  A novel protocol to construct fluorescent purine-fused tricyclic products via intramolecular cyclization of N-propargyl-adenine has been developed. With CuBr as the catalyst, a series of purine-fused tricyclic products were obtained in good to excellent yields (19 examples, 75-89% yields). When R-2 was a hydrogen atom in N-propargyl-adenines, the reactions only afforded the endocyclic double bond products. When R-2 was an aryl group, the electron-onating groups favored the endocyclic double bond products, while the electron-withdrawing groups favored the exocyclic double bond products.

  DOI：

  10.1021/jo5001687