1,1'-Carbonylbis(3-methylimidazolium) triflate

Base Information

• Chemical Name: 1,1'-Carbonylbis(3-methylimidazolium) triflate
• CAS No.: 120418-31-7
• Molecular Formula: C9H12N4O.CF3O3S
• Molecular Weight: 490.3568
• Hs Code.: 2933290090
• European Community (EC) Number: 639-380-3
• DSSTox Substance ID: DTXSID20378475
• Mol file: 120418-31-7.mol

Synonyms:120418-31-7;1,1'-CARBONYLBIS(3-METHYLIMIDAZOLIUM) TRIFLATE;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) trifluoromethanesulfonate;bis(3-methylimidazol-3-ium-1-yl)methanone;trifluoromethanesulfonate;1,1'-Carbonyl-bis(3-methylimidazolium) triflate;3-methyl-1-(3-methyl-1H-imidazol-3-ium-1-carbonyl)-1H-imidazol-3-ium ditrifluoromethanesulfonate;CBMIT;SCHEMBL451643;C11H12F6N4O7S2;DTXSID20378475;1,1,1-Trifluoromethanesulfonate;MFCD00269944;AKOS025394249;1,1'-Carbonylbis[3-methyl-1H-imidazolium;CS-0442383;FT-0664271;1,1'-carbonylbis(3-methylimidazolium)triflate;1,1'-carbonylbis(3-methyl-imidazolium) triflate;J-004331;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium)trifluoromethanesulfonate;1,1'-Carbonylbis(3-methyl-1H-imidazol-3-ium) bis(trifluoromethanesulfonate)

Chemical Property of 1,1'-Carbonylbis(3-methylimidazolium) triflate

Chemical Property:

• Melting Point: 78-80
• Refractive Index: ">
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 165.85000
• Density: g/cm³
• LogP: 1.71940
• Storage Temp.: Hygroscopic, -20?C Freezer, Under Inert Atmosphere
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 0
• Exact Mass: 490.00516005
• Heavy Atom Count: 30
• Complexity: 356

Purity/Quality:

97% ^*data from raw suppliers

1,1''-Carbonylbis(3-methylimidazolium)Triflate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CN(C=C1)C(=O)N2C=C[N+](=C2)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Uses: An efficient reagent for aminoacylations. Used in the synthesis of chiral Pilocarpine analogs via a C-8 ketone intermediate. As an efficient reagent for aminoacylations, 1,1'-Carbonylbis(3-MethyliMidazoliuM) Triflate can be used in the synthesis of chiral Pilocarpine analogs via a C-8 ketone intermediate.

Technology Process of 1,1'-Carbonylbis(3-methylimidazolium) triflate

There total 1 articles about 1,1'-Carbonylbis(3-methylimidazolium) triflate 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:

1,1'-carbonyldiimidazole (530-62-1) + methyl trifluoromethanesulfonate (333-27-7) → 1,1'-carbonylbis(3-methyl-1H-imidazol-3-ium) triflate (120418-31-7)

Guidance literature:

In nitromethane; at 10 ℃; Yield given;

DOI:10.1021/ja00195a043

Reference yield: 92.0%

1,1'-carbonylbis(3-methyl-1H-imidazol-3-ium) triflate (120418-31-7) + D-N-ethylserine benzyl ester (462629-55-6) → benzyl (R)-3-ethyl-2-oxo-4-oxazolidinecarboxylate (462100-54-5)

Guidance literature:

With 1-methyl-1H-imidazole; In nitromethane; at 0 ℃; for 3h;

DOI:10.1021/jo0111210

Reference yield:

1,1'-carbonylbis(3-methyl-1H-imidazol-3-ium) triflate (120418-31-7) + 4-(4-N-methylpiperazine-1-yl)methyl benzoic acid dihydrochloride → C17H23N4O(1+)*CF3O3S(1-)

Guidance literature:

In N,N-dimethyl-formamide; at 40 - 50 ℃; for 2h;

upstream raw materials:

1,1'-carbonyldiimidazole

methyl trifluoromethanesulfonate

Downstream raw materials:

benzyl (R)-3-ethyl-2-oxo-4-oxazolidinecarboxylate