6-([4-methyl-1,1'-biphenyl]-2-yl)-9-β-D-(2',3',5'-tri-O-acetyl)ribofuranosyl-9H-purine | 1284287-22-4

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 6-([4-methyl-1,1'-biphenyl]-2-yl)-9-β-D-(2',3',5'-tri-O-acetyl)ribofuranosyl-9H-purine
• CAS: 1284287-22-4
• 化学式: C₂₉H₂₈N₄O₇
• 分子量: 544.564
• InChiKey: FPKSICJNNMTYAA-FLKHEUMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.79
• 重原子数：
  40.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  131.73
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  碘苯 、 (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(m-tolyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate 在 silver(I) acetate 、 palladium diacetate 、 溶剂黄146 作用下， 反应 48.0h， 以86%的产率得到6-([4-methyl-1,1'-biphenyl]-2-yl)-9-β-D-(2',3',5'-tri-O-acetyl)ribofuranosyl-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