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[ CAS No. 178631-04-4 ] {[proInfo.proName]}

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Chemical Structure| 178631-04-4
Chemical Structure| 178631-04-4
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Product Details of [ 178631-04-4 ]

CAS No. :178631-04-4 MDL No. :MFCD12761443
Formula : C14H23F6N3O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :LECQXINNQGHJBM-UHFFFAOYSA-N
M.W : 475.47 Pubchem ID :12184591
Synonyms :

Safety of [ 178631-04-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 178631-04-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 178631-04-4 ]

[ 178631-04-4 ] Synthesis Path-Downstream   1~15

  • 2
  • [ 90076-65-6 ]
  • 1-octyl-3-methyl-imidazolium bromide [ No CAS ]
  • [ 178631-04-4 ]
YieldReaction ConditionsOperation in experiment
96% In dichloromethane; water
89% In water at 70℃;
82.3% In water Preparation of 1-octyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide([C8-mim][Tf2N]) 14.4 g (0.052 mol) of [C8mim][Br] was diluted with 100 mL of deionized water and 14.46 g (0.052mol) of Li(Tf2N) was added. After mixing, the reaction mixture was separated into two layers.The bottom layer was [C8mim] [Tf2N] and the top layer was aqueous LiCl. After decanting the toplayer, 100 mL of fresh deionized water was added and the solution was thoroughly mixed. Thisprocedure was repeated twice. The ionic liquid was dried in vacuo (under 0.1mbar) at 60°C for 24hours, producing a colorless liquid (yield: 20.6 g, 82.3%).
81% In dichloromethane for 48h;
In water at 20℃;
at 120℃; for 0.166667h; Microwave irradiation; Neat (no solvent);
In water at 20℃; for 5h; Inert atmosphere; 4.1. General synthesis for ionic liquids synthesis General procedure: A solution of the appropriate amine (275 mmol, 1.2 equiv) in ethyl acetate (120 mL) was degassed for 15 min by argon bubbling. Then, 1-alkylbromide (229 mmol, 1 equiv) was added and the resulting mixture was refluxed for 15 h under argon. Finally, the solvent was evaporated under reduced pressure (rotary evaporator). The residue was washed thoroughly with ethyl acetate (3 x 100 mL) and dried under reduced pressure to afford thefirst-generation ionic liquid as an hygroscopic white solid. The resulting product (210 mmol, 1 equiv) was added to a solution of LiNTf2 (166 mmol, 0.8 equiv) in distilled water (100 mL). The mixture was stirred at room temperature under argon for 5 h and extracted with CH2Cl2 (3 x 50 mL). The combined organic phases were then washed with water (2 x 15 mL) and brine (2 x 15 mL), and then dried over MgSO4. After filtration, the resultant mixture was stirred for 2 h with activated charcoal. A filtration on celite to remove charcoal and an evaporation under reduced pressure (rotary evaporator, 2 x 10-3 bar) afforded the colorless desired NTf2--based second-generation ionic liquid (global yield >80%).
In water at 20℃; for 2h;

  • 3
  • [ 64697-40-1 ]
  • [ 90076-67-8 ]
  • [ 178631-04-4 ]
  • 4
  • [ 616-47-7 ]
  • [ 111-83-1 ]
  • [ 90076-65-6 ]
  • [ 178631-04-4 ]
YieldReaction ConditionsOperation in experiment
94% at 140℃; for 0.416667h; microwave irradiation; sonication;
Stage #1: 1-methyl-1H-imidazole; 1-bromo-octane In toluene at 90℃; for 2h; Stage #2: bis(trifluoromethane)sulfonimide lithium In water at 70℃; for 2h; Further stages.;
  • 5
  • [ 111-85-3 ]
  • [ 178631-04-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 48 h / Heating 2: H2O / 2 h / 20 °C
Multi-step reaction with 2 steps 1: 48 h / 59.85 °C 2: H2O / 2 h / 20 °C
  • 6
  • [ 111-83-1 ]
  • [ 178631-04-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: H2O / 20 °C
Multi-step reaction with 2 steps 1: 20 °C 2: 89 percent / H2O / 70 °C
Multi-step reaction with 2 steps 1: ethyl acetate / 15 h / Reflux; Inert atmosphere 2: water / 5 h / 20 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: acetonitrile / 16 h / 60 °C / Inert atmosphere 2: water; dichloromethane
Multi-step reaction with 2 steps 1: ethanol / 8 h / Reflux 2: water
Multi-step reaction with 2 steps 1: toluene / 48 h / 80 °C / Inert atmosphere; Schlenk technique; Glovebox 2: water / 2 h / 20 °C

  • 7
  • [ 616-47-7 ]
  • [ 111-85-3 ]
  • [ 90076-65-6 ]
  • [ 178631-04-4 ]
YieldReaction ConditionsOperation in experiment
72% at 120 - 140℃; for 1.66667h; microwave irradiation; sonication;
  • 8
  • [ 616-47-7 ]
  • [ 16156-52-8 ]
  • [ 90076-65-6 ]
  • [ 178631-04-4 ]
YieldReaction ConditionsOperation in experiment
21.5 g Stage #1: 1-methyl-1H-imidazole; n-octyl methanesulfonate at 60℃; for 168h; Stage #2: bis(trifluoromethane)sulfonimide lithium In water for 0.5h; Further stages.;
  • 9
  • tetrabutylphosphonium (2R,3R)-tartrate [ No CAS ]
  • [ 178631-04-4 ]
  • D-(-)-tartrate 1-octyl-3-methyl imidazolium [ No CAS ]
YieldReaction ConditionsOperation in experiment
100% In water
  • 10
  • [ 162301-46-4 ]
  • [ 178631-04-4 ]
  • [ 1389393-10-5 ]
YieldReaction ConditionsOperation in experiment
With cesium chloride In octanol; water for 72h;
  • 11
  • [ 7585-39-9 ]
  • [ 178631-04-4 ]
  • C42H70O35*C2F6NO4S2(1-)*C12H23N2(1+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water
  • 12
  • [ 7585-39-9 ]
  • [ 178631-04-4 ]
  • 2C42H70O35*C2F6NO4S2(1-)*C12H23N2(1+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
In water
  • 13
  • [ 178631-04-4 ]
  • C12H22N2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
In N,N-dimethyl-formamide Electrolysis;
  • 14
  • [ 82113-65-3 ]
  • 1-octyl-3-methyl-imidazolium bromide [ No CAS ]
  • [ 178631-04-4 ]
YieldReaction ConditionsOperation in experiment
In water
  • 15
  • [ 64697-40-1 ]
  • [ 178631-04-4 ]
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