9-<5-O-(2-acetoxy-2-methylpropanoyl)-3-O-acetyl-2-deoxy-4-C-trifluoromethyl-β-D-ribo-furanosyl>-6-chloropurine | 219649-63-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-<5-O-(2-acetoxy-2-methylpropanoyl)-3-O-acetyl-2-deoxy-4-C-trifluoromethyl-β-D-ribo-furanosyl>-6-chloropurine
• CAS: 219649-63-5
• 化学式: C₁₉H₂₀ClF₃N₄O₇
• 分子量: 508.839
• InChiKey: MXAPELNHKBWPIN-VNBZBWLYSA-N

物化性质

• 沸点：
  579.0±60.0 °C(predicted)
• 密度：
  1.56±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  131.73
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  9-<5-O-(2-acetoxy-2-methylpropanoyl)-3-O-acetyl-2-deoxy-4-C-trifluoromethyl-β-D-ribo-furanosyl>-6-chloropurine 在 氨 作用下， 以58.9%的产率得到2'-deoxy-4'-C-(trifluoromethyl)adenosine
  参考文献：
  名称：

  Synthesis of 4′-Trifluoromethyl Nucleoside Analogs

  摘要：

  A strategy based on the use of (trifluoromethyl)trimethylsilane for introduction of the trifluoromethyl group at the C-4 of ribose has been developed and utilized in the synthesis of various novel 4'-trifluoromethylated nucleoside analogs. Screening of these analogs against HN did not reveal significant biological activity.

  DOI：

  10.1080/07328319808004312
• 作为产物：
  描述：

  2-乙酰氧基异丁酰溴 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 9-<5-O-(2-acetoxy-2-methylpropanoyl)-3-O-acetyl-2-deoxy-4-C-trifluoromethyl-β-D-ribo-furanosyl>-6-chloropurine
  参考文献：
  名称：

  Synthesis of 4′-Trifluoromethyl Nucleoside Analogs

  摘要：

  A strategy based on the use of (trifluoromethyl)trimethylsilane for introduction of the trifluoromethyl group at the C-4 of ribose has been developed and utilized in the synthesis of various novel 4'-trifluoromethylated nucleoside analogs. Screening of these analogs against HN did not reveal significant biological activity.

  DOI：

  10.1080/07328319808004312