| 145215-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 145215-36-7
• 化学式: C₉H₁₃N₃O₃
• 分子量: 211.221
• InChiKey: AHYVDJIQQIOKQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.39
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.33
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  胸腺嘧啶 在 ammonium sulfate 、 三氟甲磺酸三甲基硅酯 、 碳酸氢钠 作用下， 反应 18.0h， 生成
  参考文献：
  名称：

  Isoxazolidine analogs of nucleosides

  摘要：

  DOI：

  10.1016/0223-5234(92)90191-3

文献信息

• Heterocyclic Nucleosede Analogues by Cycloaddition Reactions of 1-Vinylthymine with 1,3-Depoles
  作者：David R. Adams、Alan S. F. Boyd、R. Ferguson、David S. Grierson、Claude Monneret

  DOI：10.1080/07328319808004220

  日期：1998.6

  1,3-Dipolar cycloaddition of 1-vinylthymine to azides, nitrile oxides, nitrones and nitronates has been investigated as a route to heterocyclic nucleoside analogues in which the nucleoside ribose moiety has been replaced by an alternative heterocycle. Reaction of 1-vinylthymine with highly reactive nitrile oxides affords 1(isoxazolin-5-yl)thymine products in excellent yield at room temperature. The less reactive nitrone dipoles undergo cycloaddition to 1-vinylthymine at elevated temperature to afford 1-(isoxazolidin-5-yl)thymine cycloadducts in good-to-moderate yields, but show a tendency to eliminate thymine from the cycloaddition products over long reaction times. Azide cycloadditions to 1-vinylthymine proceed only under forcing conditions to which the fragile triazoline products are unstable.