Hydantoin, 1-chloro-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-

Base Information

• Chemical Name: Hydantoin, 1-chloro-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-
• CAS No.: 92668-48-9
• Molecular Formula: C12H9ClF4N2O2
• Molecular Weight: 324.6587
• DSSTox Substance ID: DTXSID70239087
• Wikidata: Q83121431
• Mol file: 92668-48-9.mol

Synonyms:BRN 5609110;Hydantoin, 1-chloro-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-;1-Chloro-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)hydantoin;1-Chlor-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluor-m-tolyl)hydantoin [German];2,4-Imidazolidinedione, 1-chloro-3-(4-fluoro-3-(trifluoromethyl)phenyl)-5,5-dimethyl-;92668-48-9;1-Chlor-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluor-m-tolyl)hydantoin;C12H9ClF4N2O2;DTXSID70239087;C12-H9-Cl-F4-N2-O2;LS-76032

Chemical Property of Hydantoin, 1-chloro-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-

Chemical Property:

• Vapor Pressure: 6.23E-05mmHg at 25°C
• Boiling Point: 345.3°Cat760mmHg
• Flash Point: 162.6°C
• Density: 1.55g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 324.0288679
• Heavy Atom Count: 21
• Complexity: 469

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(=O)N(C(=O)N1Cl)C2=CC(=C(C=C2)F)C(F)(F)F)C

Technology Process of Hydantoin, 1-chloro-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)-

There total 6 articles about Hydantoin, 1-chloro-5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)- 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: 83.0%

5,5-dimethyl-3-(α,α,α,4-tetrafluoro-m-tolyl)hydantoin (70842-04-5) → 1-Chlor-5,5-dimethyl-3-(α,α,α,4-tetrafluor-m-tolyl)hydantoin (92668-48-9)

Guidance literature:

With Javellesh base (3.5 N); In chloroform; for 18h;

Reference yield:

4-Fluoro-3-trifluoromethylaniline (2357-47-3) → 1-Chlor-5,5-dimethyl-3-(α,α,α,4-tetrafluor-m-tolyl)hydantoin (92668-48-9)

Guidance literature:

Multi-step reaction with 4 steps

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

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

3: 98 percent / HCl (3N) / 4.5 h / 60 °C

4: 83 percent / Javellesh base (3.5 N) / CHCl₃ / 18 h

With hydrogenchloride; Javellesh base (3.5 N); sodium hydrogencarbonate; In tetrahydrofuran; chloroform;

Reference yield:

α-Isocyanatobuttersaeure-methylester (54213-21-7) → 1-Chlor-5,5-dimethyl-3-(α,α,α,4-tetrafluor-m-tolyl)hydantoin (92668-48-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 88 percent

2: 97 percent / HCl (6N) / acetone / Heating

3: 83 percent / Javellesh base (3.5 N) / CHCl₃ / 18 h

With hydrogenchloride; Javellesh base (3.5 N); In chloroform; acetone;

upstream raw materials:

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

α-Isocyanatobuttersaeure-methylester

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

2-[3-(4-Fluoro-3-trifluoromethyl-phenyl)-ureido]-2-methyl-propionic acid methyl ester