(4-(3-((6aR,8S,9S,9aR)-9-(2-cyanoethoxy)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)propyl)-1H-imidazol-1-yl)methyl pivalate | 1346144-42-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4-(3-((6aR,8S,9S,9aR)-9-(2-cyanoethoxy)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)propyl)-1H-imidazol-1-yl)methyl pivalate
• CAS: 1346144-42-0
• 化学式: C₃₂H₅₇N₃O₇Si₂
• 分子量: 651.991
• InChiKey: OMTGMNRNKUNQOH-RRGQHJHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.78
• 重原子数：
  44.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  114.06
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (4-(3-((6aR,8S,9S,9aR)-9-(2-cyanoethoxy)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)propyl)-1H-imidazol-1-yl)methyl pivalate 在 吡啶 、 4-二甲氨基吡啶 、 4,5-二氰基咪唑 、 triethylamine tris(hydrogen fluoride) 、 三乙胺 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 22.5h， 生成 [4-[3-[(2S,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(2-cyanoethoxy)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]propyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
  参考文献：
  名称：

  Synthesis of Imidazole C1- and C3-Ribonucleoside Phosphoramidites for Probing Catalytic Mechanism in Ribozyme

  摘要：

  Synthesis of C4-linked imidazole N-pivaloyloxymethyl (P0M)-2'-O-cyanoethylated (CE) C-1- and C-3-ribonucleoside phosphoramidites 1a and 1b is described. These phosphoramidite products were incorporated into RNA sequence through solid phase phosphoramidite approach, providing RNA with imidazole linked through different length to sugar residue, to study the mechanism of a ribozyme.

  DOI：

  10.3987/com-11-12263
• 作为产物：
  描述：

  {4-[3-(β-D-ribofuranosyl)propyl]imidazolyl}methyl 2,2-dimethylpropionate 在 吡啶 、 caesium carbonate 作用下， 以 叔丁醇 为溶剂， 反应 16.0h， 生成 (4-(3-((6aR,8S,9S,9aR)-9-(2-cyanoethoxy)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)propyl)-1H-imidazol-1-yl)methyl pivalate
  参考文献：
  名称：

  Synthesis of Imidazole C1- and C3-Ribonucleoside Phosphoramidites for Probing Catalytic Mechanism in Ribozyme

  摘要：

  Synthesis of C4-linked imidazole N-pivaloyloxymethyl (P0M)-2'-O-cyanoethylated (CE) C-1- and C-3-ribonucleoside phosphoramidites 1a and 1b is described. These phosphoramidite products were incorporated into RNA sequence through solid phase phosphoramidite approach, providing RNA with imidazole linked through different length to sugar residue, to study the mechanism of a ribozyme.

  DOI：

  10.3987/com-11-12263