3-(2-(tert-butoxy)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium bromide | 956713-48-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-(2-(tert-butoxy)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium bromide
• CAS: 956713-48-7
• 化学式: Br*C₁₀H₁₇N₂O₂
• 分子量: 277.161
• InChiKey: FFHJFAJFVARJAJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.34
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  35.11
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(2-(tert-butoxy)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium bromide 在 水 、 氢溴酸 作用下， 以 对二甲苯 为溶剂， 反应 1.0h， 以0.34 g的产率得到1-羧甲基-3-甲基咪唑溴盐
  参考文献：
  名称：

  Imidazolium salts with a free carboxy group as new catalysts of the Biginelli reaction

  摘要：

  DOI：

  10.1134/s1070428010040354
• 作为产物：
  描述：

  N-甲基咪唑 、 溴乙酸叔丁酯 以 对二甲苯 为溶剂， 反应 4.0h， 生成 3-(2-(tert-butoxy)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium bromide
  参考文献：
  名称：

  Imidazolium salts with a free carboxy group as new catalysts of the Biginelli reaction

  摘要：

  DOI：

  10.1134/s1070428010040354

文献信息

• Synthesis, structural characterization and in vitro anti-cancer activity of functionalized N-heterocyclic carbene platinum and palladium complexes
  作者：Georges Dahm、Corinne Bailly、Lydia Karmazin、Stéphane Bellemin-Laponnaz

  DOI：10.1016/j.jorganchem.2015.07.003

  日期：2015.10

  A series of platinum(II) and palladium(II) complexes bearing N-heterocyclic carbene ligands functionalized by specific functionalities such as alcohol, nitrile or ester were synthesized. The novel complexes were fully characterized and X-ray diffraction was used for the structure determination of eight derivatives. The reactivity of the functional groups has been studied; for example, Pt and Pd NHC complexes containing tBu ester functions were easily hydrolyzed giving water-soluble NHC complexes. The palladium complex 21 containing dangling COOH group was evaluated in copper-free Sonogashira coupling reaction. In addition, platinum NHC complexes are attractive metal-based systems for the development of anticancer drugs. Preliminary results of the biological effects on various human cancer and non-cancer cells are also reported. (C) 2015 Elsevier B.V. All rights reserved.