5-Methyl-1-[2-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]ethyl]pyrimidine-2,4-dione | 1292816-89-7

• 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: 5-Methyl-1-[2-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]ethyl]pyrimidine-2,4-dione
• CAS: 1292816-89-7
• 化学式: C₁₅H₁₇N₇O₄
• 分子量: 359.344
• InChiKey: KBSCEKJOWXAUQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-1-propargylthymine 、 N-1-(2-azidoethyl)thymine 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 4.0h， 以72%的产率得到5-Methyl-1-[2-[4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]ethyl]pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of modified triazole nucleosides possessing one or two base moieties via a click chemistry approach

  摘要：

  Copper-catalyzed 1,3-dipolar cycloaddition of propargyl and azidoethyl thymine and adenine derivatives afforded triazole nucleosides bearing one or two base moieties. A catalytic role of the adenine nucleus was observed and is explained through copper-adenine coordination in the intermediate copper acetylide-azide complex. The antioxidant activity of the obtained cycloadducts was tested. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.145

文献信息

• Synthesis of modified triazole nucleosides possessing one or two base moieties via a click chemistry approach
  作者：Sakellarios Trakossas、Evdoxia Coutouli-Argyropoulou、Dimitra J. Hadjipavlou-Litina

  DOI：10.1016/j.tetlet.2011.01.145

  日期：2011.4

  Copper-catalyzed 1,3-dipolar cycloaddition of propargyl and azidoethyl thymine and adenine derivatives afforded triazole nucleosides bearing one or two base moieties. A catalytic role of the adenine nucleus was observed and is explained through copper-adenine coordination in the intermediate copper acetylide-azide complex. The antioxidant activity of the obtained cycloadducts was tested. (c) 2011 Elsevier Ltd. All rights reserved.