2,4-bis(benzyloxy)-5-1-[(3,5-di-O-benzyl-2-deoxy-β-D-ribofuranosyl)-1H-imidazol-4-yl]pyrimidine | 1418269-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-bis(benzyloxy)-5-1-[(3,5-di-O-benzyl-2-deoxy-β-D-ribofuranosyl)-1H-imidazol-4-yl]pyrimidine
• CAS: 1418269-03-0
• 化学式: C₄₀H₃₈N₄O₅
• 分子量: 654.766
• InChiKey: KZPAIMCSJZPVAV-YXWIYCFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.59
• 重原子数：
  49.0
• 可旋转键数：
  15.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  89.75
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2,4-bis(benzyloxy)-5-1-[(3,5-di-O-benzyl-2-deoxy-β-D-ribofuranosyl)-1H-imidazol-4-yl]pyrimidine 在 palladium 10% on activated carbon 、 甲酸铵 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以52%的产率得到5-[1-(2-deoxy-β-D-ribofuranosyl)-1H-imidazol-4-yl]-pyrimidine-2,4-(1H,3H)-dione
  参考文献：
  名称：

  Synthetic Routes to a Series of Proximal and Distal 2′-Deoxy Fleximers

  摘要：

  Two series of innovative 2'-deoxy nucleoside analogues have been designed where the nucleobase has been split into its imidazole and pyrimidine subunits. This structural modification serves to introduce flexibility into the nucleobase scaffold while still retaining the elements required for recognition. The synthetic efforts to realize these analogues are described within.

  DOI：

  10.1055/s-0032-1316791
• 作为产物：
  描述：

  1-(2-deoxy-β-D-ribofuranos-1-yl)-4,5-diiodoimidazole 在 四(三苯基膦)钯 、 乙基溴化镁 、 sodium hydride 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 7.17h， 生成 2,4-bis(benzyloxy)-5-1-[(3,5-di-O-benzyl-2-deoxy-β-D-ribofuranosyl)-1H-imidazol-4-yl]pyrimidine
  参考文献：
  名称：

  Synthetic Routes to a Series of Proximal and Distal 2′-Deoxy Fleximers

  摘要：

  Two series of innovative 2'-deoxy nucleoside analogues have been designed where the nucleobase has been split into its imidazole and pyrimidine subunits. This structural modification serves to introduce flexibility into the nucleobase scaffold while still retaining the elements required for recognition. The synthetic efforts to realize these analogues are described within.

  DOI：

  10.1055/s-0032-1316791