1,3-dimethyl-4-acrylic acid methyl ester imidazolium iodide | 1015476-42-2

• 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: 1,3-dimethyl-4-acrylic acid methyl ester imidazolium iodide
• 英文别名: methyl (E)-3-(1,3-dimethylimidazol-1-ium-4-yl)prop-2-enoate;iodide
• CAS: 1015476-42-2
• 化学式: C₉H₁₃N₂O₂*I
• 分子量: 308.119
• InChiKey: CSXIBZLGWSKLSI-FXRZFVDSSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.96
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  35.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  碘甲烷 、 反式尿刊酸 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 73.0h， 以81%的产率得到1,3-dimethyl-4-acrylic acid methyl ester imidazolium iodide
  参考文献：
  名称：

  Synthesis, Stability, and Antimicrobial Studies of Electronically Tuned Silver Acetate N-Heterocyclic Carbenes

  摘要：

  A series of methylated imidazolium salts with varying substituents on the 4 and 5 positions of the imidazole ring were synthesized. These salts were reacted with silver acetate to afford their corresponding silver N-heterocyclic carbene (NHC) complexes. These complexes were then evaluated for their stability in water as well as for their antimicrobial efficacy against a variety of bacterial strains associated with cystic fibrosis and chronic lung infections.

  DOI：

  10.1021/jm0708679