N-[3-[4-[3-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]propyl-(2,2,2-trifluoroacetyl)amino]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide | 215650-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N-[3-[4-[3-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]propyl-(2,2,2-trifluoroacetyl)amino]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide
• CAS: 215650-54-7
• 化学式: C₄₆H₅₁F₉N₆O₉
• 分子量: 1002.93
• InChiKey: VFRHPRITEFLKKJ-QOZRZDGHSA-N

物化性质

• 密度：
  1.370±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.35
• 重原子数：
  70.0
• 可旋转键数：
  23.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  173.79
• 氢给体数：
  3.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  双(二异丙基氨基)(2-氰基乙氧基)膦 、 N-[3-[4-[3-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]propyl-(2,2,2-trifluoroacetyl)amino]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide 在 四氮唑 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以81%的产率得到5'-O-dimethoxytrityl-4-N-(tris(N,N',N"-trifluoroacetyl)-4,9,13-triazatridecane-1-yl)-2'-deoxycytidine 3'-phosphoramidite
  参考文献：
  名称：

  Synthesis of A Polyaminooligonucleotide Combinatorial Library

  摘要：

  A new method of synthesis of phosphoramidite of 2'-deoxycytydine carrying a protected spermine moiety at N-4 position is described. A model oligodeoxyribonucleotide containing the specified nucleoside unit has been synthesised. A synthesis of a polyaminooligonucleotide combinatorial library was carried out. The analysis of the above library clearly shows that the presence of spermine moieties in oligodeoxyribonucleotides increases stability of their duplexes.

  DOI：

  10.1080/07328319808004725
• 作为产物：
  描述：

  5'-O-dimethoxytrityl-4-N-p-toluenesulfonyl-2'-deoxycytidine 在 吡啶 作用下， 反应 17.08h， 生成 N-[3-[4-[3-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]propyl-(2,2,2-trifluoroacetyl)amino]butyl-(2,2,2-trifluoroacetyl)amino]propyl]-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Synthesis of A Polyaminooligonucleotide Combinatorial Library

  摘要：

  A new method of synthesis of phosphoramidite of 2'-deoxycytydine carrying a protected spermine moiety at N-4 position is described. A model oligodeoxyribonucleotide containing the specified nucleoside unit has been synthesised. A synthesis of a polyaminooligonucleotide combinatorial library was carried out. The analysis of the above library clearly shows that the presence of spermine moieties in oligodeoxyribonucleotides increases stability of their duplexes.

  DOI：

  10.1080/07328319808004725