1-BUTYL-3-METHYLIMIDAZOLIUM IODIDE

1-butyl-3-methylimidazolium iodide is an organic iodide salt in which the cationic component is 1-butyl-3-methylimidazolium. It contains a 1-butyl-3-methylimidazolium.

To a 50mL Schleck tube was added 1-methyl-1H-imidazole (4.1g, 0.05 mol), 1-iodobutane (13.8g, 0.075 mol, 1.5 equiv) and distilled toluene (20 mL), the mixture were heated and stirred at 80 C oil bath for 3 hours, after reaction, all the versitile were removed under vacuo, the residue colourless oil were washed with 2-methoxy-2-methylpropane (3×20 mL), dried under vacuo, which afforded General procedure: The reagentsandsolventswereuseddirectlyassuppliedcommerciallywithoutfurtherpurification excepttwokindsof1-methyl-3-alkylimidazoliumhalideILssynthesizedfromthere-actions of1-alkylhalidewith1-methylimidazoleaccordingtotheliteratureprocesses. [22] Degassed alkylhalide(alkyl ethylto amyl;XCl, I) wererefluxedwiththedistilled1-methylimi-dazole togivethetwokindsofeightILs.TheILswerewashedwithethylacetate, andthendriedunderavacuumatleastfor10h([EMI]Cl: whitesolid, [PMI]Cl:colorlessoil, [BMI]Cl:whitesolid, [AMI]Cl: colorlessoil, [EMI]I:yellowsolid, [PMI]I:yellowoil, [BMI]I: yellowoil, [PMI]I:yellowoil).ElementalanalysisofC, HandNwascarriedoutonaVarioELIIIelementalanalyzer.FT-IRspectrawerecollectedfromKBrpellets(Aldrich, 499%, FT-IRgrade)witha BrukerTensor27FT-IRspectrometerintherangeof4000-400cm-1. TGAwerecarriedoutinN2 atmosphere onaSDTQ600V8.3 Build101instrumentwithaheatingrateof10 C min1 anda N2 flow rateof20cm3 min1. PXRDdataforthematerialswerecollectedatambienttemperaturewithaRigakuD/Max-3c (Japan)diffractometer(Cu-Kalpha1, 2 X-radiation, lambda11.540598Aandlambda21.544426A), equippedwithanX'Celeratordetectorandaflatplate sampleholderinaBragg-Brentano para-focusingopticsconfiguration(40kV, 50mA).Intensitydatawerecollectedbythestep countingmethod(stepbeing0.02) incontinuousmodeinthe rangeof5r2thetar60. FluorescencespectrawereacquiredonaHitachi F-4600 fluorescence spectrophotometerwiththeexcita-tion andemissionslitssettedto5nm.General procedure: To a stirred solution of 1-methylimidazole (8.91 g, 100.0 mmol) in acetonitrile (70 mL) was added requisite aliphatic halide (R2-X, 110.0 mmol) dropwise at 0 oC. The reaction mixture was stirred for 24-48 h at 30-70 oC. The mixture was concentrated under reduced pressure to afford crude 1-R2-3-methylimidazolium halide. 1-methylpyrrolidine instead of 1-methylimidazole and corresponding alkylbromide were used for the preparation of 1, 1-alkylmethylpyrrolidinium bromide under neat condition. Completion of all the quaternization reaction was confirmed by 1H and 13C NMR.Add to a 100 mL round bottom flaskGlyphosate 1.69g (10mmol), Methanol (40 mL) and potassium hydroxide 0.62 g (11 mmol), Magnetic stirring at 50C, After the reaction solution is clarified, 1-butyl-3-methylimidazolium iodide 2.66 g (10 mmol) was added, The reaction was stirred at room temperature for 0.75 hours.Dichloromethane (3 x 20 mL) was added for extraction.After the extraction is completed, The organic phase is washed once with saturated saline solution.Distilled and washed onceRotary evaporation, And dried in a vacuum drying oven to give a yellow oily liquid, Yield 90%.

Molecular Weight:266.12
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:266.02800
Monoisotopic Mass:266.02800
Topological Polar Surface Area:8.8
Heavy Atom Count:11
Complexity:93.3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes