ethyl 3-(4-(4,5-dihydrooxazol-2-yl)phenyl)propiolate | 914076-84-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 3-(4-(4,5-dihydrooxazol-2-yl)phenyl)propiolate
• CAS: 914076-84-9
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: ZSDLQRDLSLQQFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  47.89
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-(4-(4,5-dihydrooxazol-2-yl)phenyl)propiolate 在 4-二甲氨基吡啶 、 sodium hydroxide 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Electrostatically Controlled Hierarchical Arrangement of Monocationic Silver(I) and Dicationic Mercury(II) Ions between Disk-Shaped Template Ligands

  摘要：

  This paper describes hierarchical arrangement of three Ag+ and three Hg2+ ions using two disk-shaped hexa-monodentate template ligands in which three oxazolyl rings are arranged each on the two concentric circles. The hierarchical manner of ligand arrangement allows the selective binding of monocationic Ag+ and dicationic Hg2+ ions to the inner first and the outer second generation coordination sites, respectively. This hierarchically well-balanced metal assembly should arise primarily from a minimized electrostatic repulsion between positively charged six metal ions arranged within the heteronuclear complex.

  DOI：

  10.1021/ja064194f
• 作为产物：
  描述：

  对碘苯甲酸乙酯 在 4-二甲氨基吡啶 、 sodium hydroxide 、 正丁基锂 、 sodium methylate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 为溶剂， 反应 15.0h， 生成 ethyl 3-(4-(4,5-dihydrooxazol-2-yl)phenyl)propiolate
  参考文献：
  名称：

  Electrostatically Controlled Hierarchical Arrangement of Monocationic Silver(I) and Dicationic Mercury(II) Ions between Disk-Shaped Template Ligands

  摘要：

  This paper describes hierarchical arrangement of three Ag+ and three Hg2+ ions using two disk-shaped hexa-monodentate template ligands in which three oxazolyl rings are arranged each on the two concentric circles. The hierarchical manner of ligand arrangement allows the selective binding of monocationic Ag+ and dicationic Hg2+ ions to the inner first and the outer second generation coordination sites, respectively. This hierarchically well-balanced metal assembly should arise primarily from a minimized electrostatic repulsion between positively charged six metal ions arranged within the heteronuclear complex.

  DOI：

  10.1021/ja064194f