2-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1H-1,2,3-triazol-1-yl)ethylphosphonic acid | 1261229-32-6

• 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: 2-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1H-1,2,3-triazol-1-yl)ethylphosphonic acid
• 英文别名: 2-[4-[(5-Methyl-2,4-dioxo-pyrimidin-1-yl)methyl]triazol-1-yl]ethylphosphonic acid；2-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]ethylphosphonic acid
• CAS: 1261229-32-6
• 化学式: C₁₀H₁₄N₅O₅P
• 分子量: 315.225
• InChiKey: RVUAWCDXXCWXQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  diethyl 2-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1H-1,2,3-triazol-1-yl)ethylphosphonate 在 三甲基溴硅烷 作用下， 以 乙腈 为溶剂， 以64%的产率得到2-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-1H-1,2,3-triazol-1-yl)ethylphosphonic acid
  参考文献：
  名称：

  Straightforward synthesis of triazoloacyclonucleotide phosphonates as potential HCV inhibitors

  摘要：

  Preparation of several triazoloacyclic nucleoside phosphonates is described. The key step of the synthesis involves a copper(I)-catalysed azide-alkyne 1,3-dipolar cycloaddition between azidoalkylphosphonates and propargylated nucleobases. The antiviral properties of these new analogues have been evaluated and revealed interesting potencies. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.046