1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

Base Information

• Chemical Name: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
• CAS No.: 145022-44-2
• Molecular Formula: C7H11F3N2O3S
• Molecular Weight: 260.237
• Hs Code.: 29332900
• European Community (EC) Number: 680-002-1
• DSSTox Substance ID: DTXSID4047965
• ChEMBL ID: CHEMBL3560885
• Mol file: 145022-44-2.mol

Synonyms:1-ethyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate;1-Ethyl-3-methylimidazolium triflate;1-Ethyl-3-methylimidazoliumtrifluoromethanesulfonate;

Chemical Property of 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

Chemical Property:

• Melting Point: -12°C
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: >350 °C(lit.)
• Flash Point: >230 °F
• PSA: 74.39000
• Density: 1.387 g/mL at 25 °C(lit.)
• LogP: 1.46470
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 260.04424788
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

98% ^*data from raw suppliers

1-Ethyl-3-methylimidazol-3-iumTrifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
• Uses: Recently used in the preparation of hydrophobic, highly conductive ambient-temperature molten salts, and in the preparation of dual intercalating molten electrolyte batteries. 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate may be used as a solvent to produce ionic polymer-polymer composites (IP2C) and also in lipase-catalyzed enantioselective amine acylation with 4-pentenoic acid.

Technology Process of 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

There total 11 articles about 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-methyl-1H-imidazole (616-47-7) + trifluoromethanesulfonic acid ethyl ester (425-75-2) → 1-ethyl-3-methylimidazolium triflate (145022-44-2)

Guidance literature:

at 0 - 30 ℃; for 18h;

DOI:10.3390/molecules17055319

Reference yield: 100.0%

N-Ethylimidazole (7098-07-9) + methyl trifluoromethanesulfonate (333-27-7) → 1-ethyl-3-methylimidazolium triflate (145022-44-2)

Guidance literature:

In neat liquid; at 20 ℃; for 18h; Reflux; Inert atmosphere;

DOI:10.1039/c3gc41273c

Reference yield: 100.0%

sodium triflate (2926-30-9) + 1-ethyl-3-methyl-1H-imidazol-3-ium chloride (65039-09-0) → 1-ethyl-3-methylimidazolium triflate (145022-44-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 24h; Schlenk technique; Glovebox;

DOI:10.1002/anie.201507644

upstream raw materials:

N-Ethylimidazole

methyl trifluoromethanesulfonate

1-methyl-1H-imidazole

trifluoromethanesulfonic acid ethyl ester

Downstream raw materials:

1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

2-methylphenyl triflate

Refernces

• 1、 Schulz, Christopher,Daniels, J?rg,Bredow, Thomas,Beck, Johannes. "The electrochemical synthesis of polycationic clusters". . p. 1173 - 1177. Retrieved 2016.
• 2、 Wei, Ying,Zhang, Wenbo,Zhang, Xinyuan,Yang, Huige,Zhang, Qingguo. "The Volumetric and Transport Properties of 1-Ethyl-3-Methylimidazolium Trifluoromethanesulfonate Ionic Liquid and Propylene Carbonate Binary System". . p. 125 - 141. Retrieved 2019.
• 3、 Gonzalez, Michael A.,Ciszewski, James T.. "High conversion, solvent free, continuous synthesis of imidazolium ionic liquids in spinning tube-in-tube reactors". . p. 64 - 66. Retrieved 2009.
• 4、 Akiba, Takashi,Tsurumaki, Akiko,Ohno, Hiroyuki. "Induction of lignin solubility for a series of polar ionic liquids by the addition of a small amount of water". . p. 2260 - 2265. Retrieved 2017/07/24.