1,3-Dimethylimidazolium trifluoromethanesulfonate

Base Information

• Chemical Name: 1,3-Dimethylimidazolium trifluoromethanesulfonate
• CAS No.: 121091-30-3
• Molecular Formula: C6H9F3N2O3S
• Molecular Weight: 246.21
• DSSTox Substance ID: DTXSID50557670
• Mol file: 121091-30-3.mol

Synonyms:121091-30-3;1,3-DIMETHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE;1,3-dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate;1,3-dimethylimidazol-1-ium;trifluoromethanesulfonate;1,3-dimethylimidazolium trifluoromethylsulfonate;SCHEMBL318315;DTXSID50557670;1,3-Dimethylimidazoliumtrifluoromethanesulfonate

Chemical Property of 1,3-Dimethylimidazolium trifluoromethanesulfonate

Chemical Property:

• PSA: 74.39000
• LogP: 0.98180
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 246.02859781
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

98% ^*data from raw suppliers

1,3-DIMETHYLIMIDAZOLIUM TRIFLUOROMETHYLSULFONATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

Technology Process of 1,3-Dimethylimidazolium trifluoromethanesulfonate

There total 5 articles about 1,3-Dimethylimidazolium 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) + methyl trifluoromethanesulfonate (333-27-7) → 3-methyl-1-methylimidazolium trifluoromethanesulfonate (121091-30-3)

Guidance literature:

In hexane; at 0 - 25 ℃; for 28h;

DOI:10.3390/molecules17055319

Reference yield: 100.0%

CF3O3S(1-)*H(1+)*H3N (38542-94-8) + 1,3-dimethylimidazolim iodide (4333-62-4) → 3-methyl-1-methylimidazolium trifluoromethanesulfonate (121091-30-3)

Guidance literature:

CF₃O₃S^(1-)*H⁽¹⁺⁾*H₃N; With Amberlyst A-26 (OH^- form); In water; at 20 ℃;

1,3-dimethylimidazolim iodide; In methanol;

DOI:10.3390/molecules17044007

Reference yield: 100.0%

1,3-dimethylimidazolim iodide (4333-62-4) → 3-methyl-1-methylimidazolium trifluoromethanesulfonate (121091-30-3)

Guidance literature:

In methanol; Ionic liquid; solid phase reaction;

DOI:10.1039/b915743n

upstream raw materials:

1-methyl-1H-imidazole

methyl trifluoromethanesulfonate

1,3-dimethylimidazolim iodide

CF₃O₃S^(1-)*H⁽¹⁺⁾*H₃N

Downstream raw materials:

toluene-4-sulfonamide

1,3-dimethylimidazole-2-thione

C₁₂H₁₃N₃S

9-fluorenone

Refernces

• 1、 Ignat'ev, Nikolai V.,Barthen, Peter,Kucheryna, Andryi,Willner, Helge,Sartori, Peter. "A convenient synthesis of triflate anion ionic liquids and their properties". . p. 5319 - 5338. Retrieved 2012.
• 2、 Alcalde, Ermitas,Dinares, Immaculada,Ibanez, Anna,Mesquida, Neus. "A simple halide-to-anion exchange method for heteroaromatic salts and ionic liquids". experimental part. p. 4007 - 4027. Retrieved 2012/07/28.