ethyl 3-((2R,3S,5R)-3-((3-((2R,3S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propyl)amino)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanoate | 164007-61-8

• 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: ethyl 3-((2R,3S,5R)-3-((3-((2R,3S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propyl)amino)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanoate
• CAS: 164007-61-8
• 化学式: C₃₂H₅₁N₅O₉Si
• 分子量: 677.871
• InChiKey: GYZVLPKWSGDGID-LHNRFUMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  47.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  175.74
• 氢给体数：
  3.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-((2R,3S,5R)-3-((3-((2R,3S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propyl)amino)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanoate 在 二异丁基氢化铝 、 sodium cyanoborohydride 、 三乙胺 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  The synthesis of modified achiral internucleoside linkages: -NHCH2CH2- linked oligonucleosides

  摘要：

  A method for the synthesis of oligonucleosides uniformly linked by the NHCH2CH2 moiety is described. Syntheses of heterodimers and a thymidylate trimer along with relevant T(m) and nuclease resistance data are described.

  DOI：

  10.1016/s0040-4039(00)61716-1
• 作为产物：
  描述：

  3'-tert-butyldimethylsilylthymidine 5'-carboxaldehyde 在 palladium on activated charcoal 氢气 、 二异丁基氢化铝 、 sodium cyanoborohydride 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 ethyl 3-((2R,3S,5R)-3-((3-((2R,3S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propyl)amino)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)propanoate
  参考文献：
  名称：

  The synthesis of modified achiral internucleoside linkages: -NHCH2CH2- linked oligonucleosides

  摘要：

  A method for the synthesis of oligonucleosides uniformly linked by the NHCH2CH2 moiety is described. Syntheses of heterodimers and a thymidylate trimer along with relevant T(m) and nuclease resistance data are described.

  DOI：

  10.1016/s0040-4039(00)61716-1