sulfone of 3'-O-acetyl-5-ethyl-4'-thio-2'-deoxyuridine | 175471-04-2

• 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: sulfone of 3'-O-acetyl-5-ethyl-4'-thio-2'-deoxyuridine
• 英文别名: [(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-1,1-dioxothiolan-3-yl] acetate
• CAS: 175471-04-2
• 化学式: C₁₃H₁₈N₂O₇S
• 分子量: 346.361
• InChiKey: CUXAZOJXZPHCPN-HBNTYKKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  sulfone of 3'-O-acetyl-5-ethyl-4'-thio-2'-deoxyuridine 在 对甲苯磺酰氯 作用下， 以 吡啶 为溶剂， 反应 36.0h， 以20%的产率得到sulfone of 3',5'-di-O-acetyl-5-ethyl-4'-thio-2'-deoxyuridine
  参考文献：
  名称：

  Some Reactions of 4′-Thionucleosides and Their Sulfones

  摘要：

  We report interesting and novel reactions of 4'-thionucleosides and their sulfone derivatives when a good leaving group is present in the 5'-position. The results have important implications for the phosphorylation of these nucleoside analogues by standard chemical procedures. Possible mechanisms for these reactions are discussed.

  DOI：

  10.1080/07328319608002376
• 作为产物：
  描述：

  sulfone of 5'-O-(4,4'-dimethoxytriphenylmethyl)-3'-O-acetyl-5-ethyl-4'-thio-2'-deoxyuridine 在 苯磺酸 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以62%的产率得到sulfone of 3'-O-acetyl-5-ethyl-4'-thio-2'-deoxyuridine
  参考文献：
  名称：

  Some Reactions of 4′-Thionucleosides and Their Sulfones

  摘要：

  We report interesting and novel reactions of 4'-thionucleosides and their sulfone derivatives when a good leaving group is present in the 5'-position. The results have important implications for the phosphorylation of these nucleoside analogues by standard chemical procedures. Possible mechanisms for these reactions are discussed.

  DOI：

  10.1080/07328319608002376