5,5-Dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-2-imidazolidinone

Base Information

• Chemical Name: 5,5-Dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-2-imidazolidinone
• CAS No.: 70842-08-9
• Molecular Formula: C12H11F4N3O
• Molecular Weight: 289.2289
• DSSTox Substance ID: DTXSID20991103
• Wikidata: Q82980771
• Mol file: 70842-08-9.mol

Synonyms:BRN 0820777;5,5-Dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-2-imidazolidinone;1-(3-Trifluormethyl-4-fluor-phenyl)-5-imino-4,4-dimethyl-2-imidazolidinon [German];2-Imidazolidinone, 1-(4-fluoro-3-(trifluoromethyl)phenyl)-5-imino-4,4-dimethyl-;2-Imidazolidinone, 5,5-dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-;5-Imino-4,4-dimethyl-1-(alpha,alpha,alpha,4-tetrafluor-m-tolyl)-2-imidazolidinon [German];70842-08-9;1-(3-Trifluormethyl-4-fluor-phenyl)-5-imino-4,4-dimethyl-2-imidazolidinon;5-Imino-4,4-dimethyl-1-(alpha,alpha,alpha,4-tetrafluor-m-tolyl)-2-imidazolidinon;SCHEMBL11086556;C12H11F4N3O;DTXSID20991103;YGAIHENVDYKRCA-UHFFFAOYSA-N;C12-H11-F4-N3-O;LS-79457;1-[4-Fluoro-3-(trifluoromethyl)phenyl]-5-imino-4,4-dimethyl-4,5-dihydro-1H-imidazol-2-ol

Chemical Property of 5,5-Dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-2-imidazolidinone

Chemical Property:

• Density: 1.45g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 289.08382463
• Heavy Atom Count: 20
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(=N)N(C(=O)N1)C2=CC(=C(C=C2)F)C(F)(F)F)C

Technology Process of 5,5-Dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-2-imidazolidinone

There total 3 articles about 5,5-Dimethyl-4-imino-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-2-imidazolidinone 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:

4-Fluoro-3-trifluoromethylaniline (2357-47-3) → 5-Imino-4,4-dimethyl-1-(α,α,α,4-tetrafluor-m-tolyl)-2-imidazolidinon (70842-08-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaHCO₃ / tetrahydrofuran / 0.5 h / 22 - 23 °C

2: 1.) NaHCO₃, 2.) HCl / 1.) THF, 40 h, r.t., 2.) water

With hydrogenchloride; sodium hydrogencarbonate; In tetrahydrofuran;

Reference yield:

α,α,α,4-Tetrafluor-m-tolylcarbamidsaeurephenylester (77140-72-8) + 2-amino-2-cyanopropane (19355-69-2) → 5-Imino-4,4-dimethyl-1-(α,α,α,4-tetrafluor-m-tolyl)-2-imidazolidinon (70842-08-9)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; Yield given. Multistep reaction; 1.) THF, 40 h, r.t., 2.) water;

Reference yield:

→ 5-Imino-4,4-dimethyl-1-(α,α,α,4-tetrafluor-m-tolyl)-2-imidazolidinon (70842-08-9)

Guidance literature:

3-Trifluormethyl-4-fluorphenylisocyanat, α-Amino-isobutyronitril;

upstream raw materials:

α,α,α,4-Tetrafluor-m-tolylcarbamidsaeurephenylester

2-amino-2-cyanopropane

4-Fluoro-3-trifluoromethylaniline

Downstream raw materials:

N-<5,5-Dimethyl-2-oxo-3-(α,α,α,4-tetrafluor-m-tolyl)-4-imidazolidinyliden>acetamid

4,4-Dimethyl-5-(methylimino)-1-(α,α,α,4-tetrafluor-m-tolyl)-2-imidazolidinon

4,4-Dimethyl-5-(ethylimino)-1-(α,α,α,4-tetrafluor-m-tolyl)-2-imidazolidinon

5,5-dimethyl-3-(α,α,α,4-tetrafluoro-m-tolyl)hydantoin