1-(1,1,2,2-Tetrafluoroethyl)-1H-imidazole

Base Information

• Chemical Name: 1-(1,1,2,2-Tetrafluoroethyl)-1H-imidazole
• CAS No.: 91047-49-3
• Molecular Formula: C5H4F4N2
• Molecular Weight: 168.094
• DSSTox Substance ID: DTXSID30533412
• Nikkaji Number: J2.736.490J
• Wikidata: Q82406715

Synonyms:91047-49-3;1-(1,1,2,2-Tetrafluoroethyl)-1H-imidazole;1-(1,1,2,2-tetrafluoroethyl)imidazole;1H-Imidazole, 1-(1,1,2,2-tetrafluoroethyl)-;SCHEMBL422372;DTXSID30533412

Chemical Property of 1-(1,1,2,2-Tetrafluoroethyl)-1H-imidazole

Chemical Property:

• PSA: 17.82000
• LogP: 1.69750
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 168.03106078
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

1-(1,1,2,2-tetrafluoroethyl)-1H-Imidazole 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=N1)C(C(F)F)(F)F

Technology Process of 1-(1,1,2,2-Tetrafluoroethyl)-1H-imidazole

There total 5 articles about 1-(1,1,2,2-Tetrafluoroethyl)-1H-imidazole 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: 89.0%

1H-imidazole (288-32-4) + polytetrafluoroethylene (116-14-3,82785-14-6) → N-(α,α,β,β-tetrafluoroethyl)imidazole (91047-49-3)

Guidance literature:

With potassium hydroxide; In acetone; at 25 - 30 ℃; for 11.5h;

DOI:10.1007/BF00513861

Reference yield: 26.0%

4-nitrobenzaldehdye (555-16-8) + 1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene (113939-45-0) → C12H9F4N3O3 + C12H9F4N3O3 + N-(α,α,β,β-tetrafluoroethyl)imidazole (91047-49-3)

Guidance literature:

1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene; With TurboGrignard; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere; Schlenk technique;

4-nitrobenzaldehdye; In tetrahydrofuran; at -78 - 20 ℃; for 3h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.6b02890

Reference yield: 21.0%

1-(2-bromo-1,1,2,2-tetrafluoroethyl)-1H-imidazole (900534-71-6) → N-(α,α,β,β-tetrafluoroethyl)imidazole (91047-49-3)

Guidance literature:

With potassium phosphate tribasic trihydrate; In N,N-dimethyl-formamide; at 80 ℃; for 77h; Inert atmosphere;

DOI:10.1016/j.jfluchem.2009.05.005

upstream raw materials:

1H-imidazole

polytetrafluoroethylene

potassium 1H-imidazolide

1-(2-bromo-1,1,2,2-tetrafluoroethyl)-1H-imidazole

Downstream raw materials:

1-methyl-3-(α,α,β,β-tetrafluoroethyl)imidazolium 2,4,6-tris(fluorosulfonyl)phenolate

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