Acetic acid (R)-1-acetoxymethyl-2-[(2R,3R,3aS,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl]-ethyl ester | 199480-58-5

• 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: Acetic acid (R)-1-acetoxymethyl-2-[(2R,3R,3aS,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl]-ethyl ester
• CAS: 199480-58-5
• 化学式: C₂₈H₄₈N₂O₁₀Si₂
• 分子量: 628.868
• InChiKey: ZANLKBBGLZLKMI-PSWRQUHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  42.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  144.38
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (R)-1-acetoxymethyl-2-[(2R,3R,3aS,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl]-ethyl ester 在 吡啶 、 triethylamine tris(hydrogen fluoride) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 Acetic acid (R)-1-acetoxymethyl-2-[(2R,3R,4S,5R)-5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-tetrahydro-furan-3-yl]-ethyl ester
  参考文献：
  名称：

  The Synthesis of 2′-C-Functionalised Nucleosides for Incorporation into Catalytic RNA

  摘要：

  Five 2'-C-functionalized nucleosides (1-5) have been prepared and incorporated into dinucleoside monophosphates. The effect of the functionality on the stability of the adjacent phosphodiester bond toward hydrolysis by nuclease enzymes and extremes of pH has been assessed.

  DOI：

  10.1080/07328319708006215
• 作为产物：
  描述：

  1-((2R,3R,3aS,9aR)-3-Allyl-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl)-4-hydroxy-1H-pyrimidin-2-one 在 吡啶 、 甲醇 、 四氧化锇 、 hydroquinindine-2,5-diphenyl-4,6-pyrimidinediyl diether 、 Fe(CN)6 、 氨 、 potassium carbonate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 34.0h， 生成 Acetic acid (R)-1-acetoxymethyl-2-[(2R,3R,3aS,9aR)-2-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-yl]-ethyl ester
  参考文献：
  名称：

  The Synthesis of 2′-C-Functionalised Nucleosides for Incorporation into Catalytic RNA

  摘要：

  Five 2'-C-functionalized nucleosides (1-5) have been prepared and incorporated into dinucleoside monophosphates. The effect of the functionality on the stability of the adjacent phosphodiester bond toward hydrolysis by nuclease enzymes and extremes of pH has been assessed.

  DOI：

  10.1080/07328319708006215