5,5-Dimethyl-1,3-diphenylimidazolidine-2,4-dione

Base Information

• Chemical Name: 5,5-Dimethyl-1,3-diphenylimidazolidine-2,4-dione
• CAS No.: 87976-13-4
• Molecular Formula: C17H16N2O2
• Molecular Weight: 280.326
• DSSTox Substance ID: DTXSID00520031
• Wikidata: Q82383632
• Mol file: 87976-13-4.mol

Synonyms:5,5-Dimethyl-1,3-diphenylimidazolidine-2,4-dione;87976-13-4;SCHEMBL19923441;DTXSID00520031

Chemical Property of 5,5-Dimethyl-1,3-diphenylimidazolidine-2,4-dione

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 280.121177757
• Heavy Atom Count: 21
• Complexity: 421

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)N(C(=O)N1C2=CC=CC=C2)C3=CC=CC=C3)C

Technology Process of 5,5-Dimethyl-1,3-diphenylimidazolidine-2,4-dione

There total 17 articles about 5,5-Dimethyl-1,3-diphenylimidazolidine-2,4-dione 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: 96.0%

iodobenzene (591-50-4) + 5,5-dimethyl-3-phenylimidazolidine-2,4-dione (70974-10-6) → 5,5-dimethyl-1,3-diphenyl imidazolidine-2,4-dione (87976-13-4)

Guidance literature:

With copper(l) iodide; potassium carbonate; trans-N,N'-dimethylcyclohexane-1,2-diamine; In toluene; at 110 ℃; for 48h; Inert atmosphere;

DOI:10.1021/acs.joc.8b02284

Reference yield: 89.0%

ethyl 2-methyl-2-(phenylamino)propanoate (20059-64-7) + benzoyl azide (582-61-6) → 5,5-dimethyl-1,3-diphenyl imidazolidine-2,4-dione (87976-13-4)

Guidance literature:

With potassium carbonate; at 100 ℃; for 8h;

Reference yield: 89.0%

5,5-dimethyl-1,3-diphenyl-2-thioxoimidazolidin-4-one (87976-12-3) → 5,5-dimethyl-1,3-diphenyl imidazolidine-2,4-dione (87976-13-4)

Guidance literature:

With dihydrogen peroxide; In ethanol; water; for 1h; Heating;

upstream raw materials:

phenyl isocyanate

5,5-dimethyl-5H-[1,3,4]oxadiazol-2-one

5,5-dimethyl-1,3-diphenyl-2-thioxoimidazolidin-4-one

5-Imino-4,4-dimethyl-1,3-diphenyl-imidazolidin-2-one

Downstream raw materials:

4,4-dimethyl-1,3-diphenyl-5-thioxoimidazolidin-2-one