ethyl 2-(4-(trimethylsilylethynyl)phenyl)oxazole-4-carboxylate | 1353130-34-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-(4-(trimethylsilylethynyl)phenyl)oxazole-4-carboxylate
• CAS: 1353130-34-3
• 化学式: C₁₇H₁₉NO₃Si
• 分子量: 313.428
• InChiKey: BWRDNMNAHZNELS-UHFFFAOYSA-N

物化性质

• 沸点：
  390.9±52.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  52.33
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-(4-(trimethylsilylethynyl)phenyl)oxazole-4-carboxylate 在 草酰氯 、 lithium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N-(3-(pyrrolidin-1-yl)propyl)-2-(4-ethynylphenyl)oxazole-4-carboxamide
  参考文献：
  名称：

  A fragment based click chemistry approach towards hybrid G-quadruplex ligands: design, synthesis and biophysical evaluation

  摘要：

  A library of hybrid oxazole-triazole based compounds containing contiguously linked aromatic units were synthesised as G-quadruplex binding ligands. The design of these ligands was based upon combining features of our first generation of G-quadruplex bis-triazole ligands and the natural product telomestatin. The syntheses and biophysical studies of these ligands are described. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.10.066
• 作为产物：
  描述：

  4-trimethylsilylethynylbenzamide 、 3-溴丙酮酸乙酯 在 碳酸氢钠 、 三氟乙酸酐 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到ethyl 2-(4-(trimethylsilylethynyl)phenyl)oxazole-4-carboxylate
  参考文献：
  名称：

  A fragment based click chemistry approach towards hybrid G-quadruplex ligands: design, synthesis and biophysical evaluation

  摘要：

  A library of hybrid oxazole-triazole based compounds containing contiguously linked aromatic units were synthesised as G-quadruplex binding ligands. The design of these ligands was based upon combining features of our first generation of G-quadruplex bis-triazole ligands and the natural product telomestatin. The syntheses and biophysical studies of these ligands are described. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.10.066