9-butyl-6-(4-nitro-[1,1'-biphenyl]-2-yl)-9H-purine | 1284287-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 9-butyl-6-(4-nitro-[1,1'-biphenyl]-2-yl)-9H-purine
• 英文别名: 9-Butyl-6-(5-nitro-2-phenylphenyl)purine
• CAS: 1284287-21-3
• 化学式: C₂₁H₁₉N₅O₂
• 分子量: 373.414
• InChiKey: KFTXOMZFRYUEGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  89.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  碘苯 、 9-butyl-6-(3-nitrophenyl)purine 在 silver(I) acetate 、 palladium diacetate 、 溶剂黄146 作用下， 反应 60.0h， 以83%的产率得到9-butyl-6-(4-nitro-[1,1'-biphenyl]-2-yl)-9H-purine
  参考文献：
  名称：

  Pd(II)-Catalyzed Ortho Arylation of 6-Arylpurines with Aryl Iodides via Purine-Directed C−H Activation: A New Strategy for Modification of 6-Arylpurine Derivatives

  摘要：

  Purine is utilized as a new directing group for the Pd-catalyzed monoarylation of 6-arylpurines with simple aryl iodides via C H bond activation in good yields, providing a complementary tool for the modification of 6-arylpurines (nucleosides). Most importantly, purine can be used as a building block for nucleoside derivatives, and the use of purine as a directing group helps avoid additional synthetic steps.

  DOI：

  10.1021/ol200405w

文献信息

• Pd(II)-Catalyzed <i>Ortho</i> Arylation of 6-Arylpurines with Aryl Iodides via Purine-Directed C−H Activation: A New Strategy for Modification of 6-Arylpurine Derivatives
  作者：Hai-Ming Guo、Li-Li Jiang、Hong-Ying Niu、Wei-Hao Rao、Lei Liang、Run-Ze Mao、De-Yang Li、Gui-Rong Qu

  DOI：10.1021/ol200405w

  日期：2011.4.15

  Purine is utilized as a new directing group for the Pd-catalyzed monoarylation of 6-arylpurines with simple aryl iodides via C H bond activation in good yields, providing a complementary tool for the modification of 6-arylpurines (nucleosides). Most importantly, purine can be used as a building block for nucleoside derivatives, and the use of purine as a directing group helps avoid additional synthetic steps.