N,N-dimethyl-N',N''-diethyl-N',N''-bis(2,3-dibromo-2-methylpropyl)guanidinium bis(trifluoromethanosulfonyl)imide | 1257408-76-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: N,N-dimethyl-N',N''-diethyl-N',N''-bis(2,3-dibromo-2-methylpropyl)guanidinium bis(trifluoromethanosulfonyl)imide
• CAS: 1257408-76-6
• 化学式: C₂F₆NO₄S₂*C₁₅H₃₀Br₄N₃
• 分子量: 852.188
• InChiKey: MFNJRVHEMPSJDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  91.87
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-(bis(ethyl(2-methylallyl)amino)methylene)-N-methylmethanaminium bis((trifluoromethyl)sulfonyl)amide 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 56.0h， 以75%的产率得到N,N-dimethyl-N',N''-diethyl-N',N''-bis(2,3-dibromo-2-methylpropyl)guanidinium bis(trifluoromethanosulfonyl)imide
  参考文献：
  名称：

  Synthesis and properties of new functionalized guanidinium based ionic liquids as non-toxic versatile organic materials

  摘要：

  Functionalized guanidinium ionic liquids as a new class of versatile organic materials have been developed. Guanidinium salts containing olefinic functionalities have been prepared and completely characterized. In order to illustrate the versatility of olefinic units, they were brominated and some bromine-containing ionic liquids have been obtained. Relevant physico-chemical properties of the new synthesized salts were evaluated including their melting points, glass transition temperatures, miscibilities, densities, surface tensions and contact angles with glass and Teflon surfaces. Additionally toxicity studies were performed using the human colon carcinoma CaCo-2 cell line. Several new functionalized guanidinium based ILs showed high densities, low contact angles with Teflon, low surface tensions as well as a non-toxic behaviour. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.08.040