| 927674-01-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 927674-01-9
• 化学式: C₅₅H₉₄N₂O₁₅Si
• 分子量: 1051.44
• InChiKey: SLHPTFQUDOHGBF-KYHFQUBASA-N

物化性质

• 沸点：
  957.6±65.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.87
• 重原子数：
  73.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  182.61
• 氢给体数：
  2.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  、 氯甲酸-9-芴基甲酯 在 碳酸氢钠 作用下， 以 乙酸乙酯 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Rapid ‘SAR’ via Click Chemistry: An Alkyne-Bearing Spiramycin is fused with Diverse Azides to Yield New Triazole-Antibacterial Candidates

  摘要：

  The spiramycin analogue, 2'-acetyl-4"'-de-N-methyl-4"-O-t-butyldimethylsilylspiramycin I 3,18-(O-t-butyldimethylsilyl)acetal(1), was found to be an adequate antibacterial agent against MRSA strains. An acetylenic sidechain was attached to 1 producing the analog (8), with the core intact but displaying a tethered terminal alkyne, ready for reaction with 19 diverse azides. In the event, the copper-catalyzed Fokin-Huisgen triazole synthesis/coupling gave each of the nineteen new 4"-O-acyl triazole derivatives of 1 in good to nearly quantitative isolated yields.

  DOI：

  10.3987/com-06-s(o)7
• 作为产物：
  描述：

  在 4-二甲氨基吡啶 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Rapid ‘SAR’ via Click Chemistry: An Alkyne-Bearing Spiramycin is fused with Diverse Azides to Yield New Triazole-Antibacterial Candidates

  摘要：

  The spiramycin analogue, 2'-acetyl-4"'-de-N-methyl-4"-O-t-butyldimethylsilylspiramycin I 3,18-(O-t-butyldimethylsilyl)acetal(1), was found to be an adequate antibacterial agent against MRSA strains. An acetylenic sidechain was attached to 1 producing the analog (8), with the core intact but displaying a tethered terminal alkyne, ready for reaction with 19 diverse azides. In the event, the copper-catalyzed Fokin-Huisgen triazole synthesis/coupling gave each of the nineteen new 4"-O-acyl triazole derivatives of 1 in good to nearly quantitative isolated yields.

  DOI：

  10.3987/com-06-s(o)7