{1-[(2R,4S,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-6-nitro-1H-benzoimidazol-5-yl}-methanol | 223594-21-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: {1-[(2R,4S,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-6-nitro-1H-benzoimidazol-5-yl}-methanol
• 英文别名: [1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-nitrobenzimidazol-5-yl]methanol
• CAS: 223594-21-6
• 化学式: C₂₅H₄₃N₃O₆Si₂
• 分子量: 537.804
• InChiKey: FQOCMDJMOKQTLS-YTFSRNRJSA-N

物化性质

• 沸点：
  580.349±60.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.152±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.14
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  {1-[(2R,4S,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-6-nitro-1H-benzoimidazol-5-yl}-methanol 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  Covalently Cross-Linked Watson-Crick Base Pair Models

  摘要：

  Structural characteristics of Watson-Crick hydrogen-bonded base pairs are displayed by methylene-bridged base pairs of type A. The shown superposition of the X-ray structure obtained for the base pair A (Rib1 =Et; Rib2 =Me) over that of a C-G base pair illustrates that A occupies an area similar to that occupied by a traditional Watson-Crick hydrogen-bonded base pair. Temperature-dependent 1 H NMR studies indicate that the energy barrier for rotation along its CH2 bridge is about 10 kcal mol-1 , and that it exists predominantly in one conformer at -70°C.

  DOI：

  10.1002/(sici)1521-3773(19990401)38:7<928::aid-anie928>3.0.co;2-o
• 作为产物：
  描述：

  Ethyl 6-nitro-5-benzimidazole carboxylate 在 咪唑 、 氢氧化钾 、 sodium hydroxide 、 sodium tetrahydroborate 、 18-冠醚-6 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 生成 {1-[(2R,4S,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-dimethyl-silanyloxymethyl)-tetrahydro-furan-2-yl]-6-nitro-1H-benzoimidazol-5-yl}-methanol
  参考文献：
  名称：

  Covalently Cross-Linked Watson-Crick Base Pair Models

  摘要：

  Structural characteristics of Watson-Crick hydrogen-bonded base pairs are displayed by methylene-bridged base pairs of type A. The shown superposition of the X-ray structure obtained for the base pair A (Rib1 =Et; Rib2 =Me) over that of a C-G base pair illustrates that A occupies an area similar to that occupied by a traditional Watson-Crick hydrogen-bonded base pair. Temperature-dependent 1 H NMR studies indicate that the energy barrier for rotation along its CH2 bridge is about 10 kcal mol-1 , and that it exists predominantly in one conformer at -70°C.

  DOI：

  10.1002/(sici)1521-3773(19990401)38:7<928::aid-anie928>3.0.co;2-o