1-methyl-3-octylimidazolium nonafluorobutylsulfonate | 905972-83-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: 1-methyl-3-octylimidazolium nonafluorobutylsulfonate
• 英文别名: 1-methyl-3-octylimidazolium nonafluorobutanesulfonate；[C₈mim][NFBS]；1-octyl-3-methylimidazolium nonafluorobutanesulfonate；1-Methyl-3-octylimidazolium perfluorobutanesulfonate；1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• CAS: 905972-83-0
• 化学式: C₄F₉O₃S*C₁₂H₂₃N₂
• 分子量: 494.422
• InChiKey: UOYPBMPPFOQUMO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.63
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  74.4
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  potassium nonaflate 、 1-甲基-3-辛基氯化咪唑翁 以 乙腈 为溶剂， 以91%的产率得到1-methyl-3-octylimidazolium nonafluorobutylsulfonate
  参考文献：
  名称：

  Synthesis and Properties of Seven Ionic Liquids Containing 1-Methyl-3-octylimidazolium or 1-Butyl-4-methylpyridinium Cations

  摘要：

  Syntheses are reported for ionic liquids containing 1-methyl-3-octylimidazolium or 1-butyl-4-methylpyridinium cations and trifluoromethyl sulfonate, dicyanamide, bis(trifluoromethylsulfonyl) imide, or nonafluorobutyl sulfonate anions. Densities, melting points, glass-transition temperatures, solubilities in water, and polarities have been measured. Ionic liquids containing pyridinium cations exhibit higher melting points, lower solubility in water, and higher polarity than those containing imidazolium cations.

  DOI：

  10.1021/je060096y

文献信息

• A novel hydrophobic fluorous ionic liquid for ligand-free Mizoroki–Heck reaction
  作者：Dipak S. Gaikwad、YoonKook Park、Dattaprasad M. Pore

  DOI：10.1016/j.tetlet.2012.04.027

  日期：2012.6

  reaction is carried out in a novel hydrophobic fluorous ionic liquid which was catalyzed by Pd-nanoparticles formed in situ from Pd(OAc)2 used in the reaction. This reaction is operable under mild, aerobic, and ligand-free conditions in excellent yields. Aryl iodides, bromides as well as chlorides can be used showing its versatility. The key feature of the system is that catalyst along with ionic liquid

  Mizoroki-Heck反应在新型疏水性氟离子液体中进行，该液体由反应中使用的Pd（OAc）2原位形成的Pd纳米颗粒催化。该反应可在温和，无氧和无配体的条件下以优异的收率进行。可以使用显示出多功能性的芳基碘化物，溴化物以及氯化物。该系统的关键特征是催化剂与离子液体一起可以重复使用至少五次，且具有出色的活性。
• Structural Chemistry and Stimuli-Responsive Phase Transition of <i>N</i>,<i>N</i>′-Dialkylimidazolium Nonafluorobutanesulfonate Ionic Liquids
  作者：Tomoyuki Takeyama、Yuuki Inoue、Kenji Chayama、Satoshi Iwatsuki、Koichiro Takao

  DOI：10.1021/acs.cgd.0c01419

  日期：2021.1.6

  temperature ionic liquids (RTILs) with nonafluorobutanesulfonate ([Cnmim][NFBS], n = 5–8) were synthesized and characterized by elemental analysis, NMR, SCXRD, and DSC. Although any [Cnmim][NFBS] studied here were sticky “ionic liquids” right after the preparation, they have crystallized after standing at room temperature for several hours or days. Mechanical stimuli like agitation with a spatula onto

  合成了一系列带有九氟丁烷磺酸盐（[C n mim] [NFBS]，n = 5-8）的N，N'-二烷基咪唑鎓室温离子液体（RTIL），并通过元素分析，NMR，SCXRD和DSC进行了表征。尽管此处研究的任何[C n mim] [NFBS]都是刚制备后的粘性“离子液体”，但它们在室温下放置数小时或数天后已结晶。机械刺激（例如用刮刀在晶体[C n mim] [NFBS]上搅动（n = 5-7）导致这些盐意外熔化，而对于[C 8 mim] [NFBS]未观察到这种行为。DSC分析明确指出，[Cn mim] [NFBS]（ n = 5-7）表现出从268 K到303 K的多个相变，包括几个预熔融阶段，这可能是由于烷基或全氟烷基链的分子运动所致。此外，熔点的压力依赖性表明，此处研究的任何RTIL都具有负d P / d T斜率。此处观察到的这种特征性热行为归因于C–H···O和C–H···F氢键网络，它