N-(2-(((3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methoxy)-2-oxoethyl)-N,N-dimethyldodecan-1-aminium chloride | 1234686-04-4

• 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: N-(2-(((3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methoxy)-2-oxoethyl)-N,N-dimethyldodecan-1-aminium chloride
• CAS: 1234686-04-4
• 化学式: C₂₈H₄₈N₃O₇*Cl
• 分子量: 574.158
• InChiKey: DMJAKNSEBPKLCP-SFFHVSSCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  39.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  108.85
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-(2-(((3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methoxy)-2-oxoethyl)-N,N-dimethyldodecan-1-aminium chloride 在 DOWEX monosphere 650L (H⁺) resin beads 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以88%的产率得到C₂₅H₄₄N₃O₇⁽¹⁺⁾*Cl^(1-)
  参考文献：
  名称：

  Synthesis of Novel 5′-Uridine-Head Amphiphiles as Model for DNA Molecular Recognition

  摘要：

  Here we describe uridine functionalization in the 5' position, which provides new classes of cationic and nonionic amphiphiles specifically designed. as DNA transfection agents. The Synthetic procedures developed to obtain the cationic uridine-head surfactants prevented intramolecular cyclization. that occurs when. uridine is functionalized in this position without using protecting groups in the uracil.

  DOI：

  10.1080/15257770903306625
• 作为产物：
  描述：

  十二烷基二甲基叔胺 、 2',3'-O-isopropylidene-5'-O-(chloroacetyl)uridine 以 乙腈 为溶剂， 反应 24.0h， 以70%的产率得到N-(2-(((3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methoxy)-2-oxoethyl)-N,N-dimethyldodecan-1-aminium chloride
  参考文献：
  名称：

  Synthesis of Novel 5′-Uridine-Head Amphiphiles as Model for DNA Molecular Recognition

  摘要：

  Here we describe uridine functionalization in the 5' position, which provides new classes of cationic and nonionic amphiphiles specifically designed. as DNA transfection agents. The Synthetic procedures developed to obtain the cationic uridine-head surfactants prevented intramolecular cyclization. that occurs when. uridine is functionalized in this position without using protecting groups in the uracil.

  DOI：

  10.1080/15257770903306625