2-amino-6-{2-[2-(2-hydroxyethoxy)ethoxy]ethylamino}-3-methyl-5-nitropyrimidin-4(3H)-one | 1334668-11-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-amino-6-{2-[2-(2-hydroxyethoxy)ethoxy]ethylamino}-3-methyl-5-nitropyrimidin-4(3H)-one
• CAS: 1334668-11-9
• 化学式: C₁₁H₁₉N₅O₆
• 分子量: 317.302
• InChiKey: UWGPYEXCKQBUIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.29
• 重原子数：
  22.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  154.77
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2-amino-6-{2-[2-(2-hydroxyethoxy)ethoxy]ethylamino}-3-methyl-5-nitropyrimidin-4(3H)-one 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 63.0h， 生成
  参考文献：
  名称：

  Nucleotides Part LXXX: Synthesis of 3′-O Fluorescence Labeled Thymidine Derivatives and Their 5′-O-Triphosphates

  摘要：

  A new labeling technique attaching a fluorescent pteridine derivative (3, 5) via a linker onto the 3'-OH group of 5'-O-dimethoxytritylthymidine (7) was developed to lead to the conjugates 8 and 11. After detritylation to give 9 and 12, the final conversion into the corresponding 5'-triphosphates (13, 14), which were isolated as sodium salts, was performed by known methods.

  DOI：

  10.1080/15257770.2011.578089
• 作为产物：
  描述：

  2-[2-(2-氨乙氧基)乙氧基]乙醇 、 1-Methyl-4-chlor-5-nitro-2-amino-6-oxo-dihydropyrimidin 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以83%的产率得到2-amino-6-{2-[2-(2-hydroxyethoxy)ethoxy]ethylamino}-3-methyl-5-nitropyrimidin-4(3H)-one
  参考文献：
  名称：

  Nucleotides Part LXXX: Synthesis of 3′-O Fluorescence Labeled Thymidine Derivatives and Their 5′-O-Triphosphates

  摘要：

  A new labeling technique attaching a fluorescent pteridine derivative (3, 5) via a linker onto the 3'-OH group of 5'-O-dimethoxytritylthymidine (7) was developed to lead to the conjugates 8 and 11. After detritylation to give 9 and 12, the final conversion into the corresponding 5'-triphosphates (13, 14), which were isolated as sodium salts, was performed by known methods.

  DOI：

  10.1080/15257770.2011.578089