5'-O-dimethoxytritylthymidine-3'-O-(2-oxo-1,3,2-dithiaphospholane) | 1196870-93-5

• 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: 5'-O-dimethoxytritylthymidine-3'-O-(2-oxo-1,3,2-dithiaphospholane)
• 英文别名: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-oxido-1,3,2-dithiaphospholan-2-ium-2-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• CAS: 1196870-93-5
• 化学式: C₃₃H₃₅N₂O₈PS₂
• 分子量: 682.755
• InChiKey: VUCLWWJBYNVSCJ-FRXPANAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  169
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3'-O-acetyl-N-benzoyl-2'-deoxyadenosine 、 5'-O-dimethoxytritylthymidine-3'-O-(2-oxo-1,3,2-dithiaphospholane) 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Studies of Asymmetric Induction in the Synthesis of Dinucleoside Phosphorothioates from 2-Oxo-1,3,2-dithiaphospholane Nucleoside Derivatives

  摘要：

  The nucleoside derivatives, containing at 3'-O or 5'-O-position 2-oxo-1,3,2-dithiaphospholane function were found to react in the presence of DBU with a hydroxyl group of appropriately protected nucleosides to yield, after deprotection, dinucleoside phosphorothioates in moderate yields. An asymmetric induction connected with the formation of new chiral phosphorothioate center has been examined.

  DOI：

  10.1080/10426500902947898
• 作为产物：
  描述：

  1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(1,3,2-dithiaphospholan-2-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione 在 叔丁基过氧化氢 作用下， 以 癸烷 、 苯 为溶剂， 以84%的产率得到5'-O-dimethoxytritylthymidine-3'-O-(2-oxo-1,3,2-dithiaphospholane)
  参考文献：
  名称：

  Studies of Asymmetric Induction in the Synthesis of Dinucleoside Phosphorothioates from 2-Oxo-1,3,2-dithiaphospholane Nucleoside Derivatives

  摘要：

  The nucleoside derivatives, containing at 3'-O or 5'-O-position 2-oxo-1,3,2-dithiaphospholane function were found to react in the presence of DBU with a hydroxyl group of appropriately protected nucleosides to yield, after deprotection, dinucleoside phosphorothioates in moderate yields. An asymmetric induction connected with the formation of new chiral phosphorothioate center has been examined.

  DOI：

  10.1080/10426500902947898