4,5-Diphenyl-2-imidazolidinone

Base Information

• Chemical Name: 4,5-Diphenyl-2-imidazolidinone
• CAS No.: 100820-83-5
• Molecular Formula: C15H14N2O
• Molecular Weight: 238.289
• NSC Number: 114465
• DSSTox Substance ID: DTXSID60297136
• ChEMBL ID: CHEMBL1896975
• Mol file: 100820-83-5.mol

Synonyms:4,5-Diphenyl-2-imidazolidinone;4,5-diphenylimidazolidin-2-one;100820-83-5;MLS002706555;NSC114465;TimTec1_000840;Oprea1_066651;SCHEMBL2724030;CHEMBL1896975;DTXSID60297136;MLAJDFOBMYBISF-UHFFFAOYSA-N;HMS1536G04;2-Imidazolidinone, 4,5-diphenyl-;AKOS024275085;NSC-114465;4,5-DIPHENYL-IMIDAZOLIDIN-2-ONE;NCGC00175067-01;SMR001495909;tert-butyl4-p-tolylpyrrolidin-3-ylcarbamate;FT-0726645;A834684

Chemical Property of 4,5-Diphenyl-2-imidazolidinone

Chemical Property:

• Melting Point: 292-293 °C
• Boiling Point: 475.9±45.0 °C(Predicted)
• PKA: 13.36±0.60(Predicted)
• PSA: 41.13000
• Density: 1.158±0.06 g/cm3(Predicted)
• LogP: 3.43940
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 238.110613074
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

4,5-DIPHENYL-2-IMIDAZOLIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(NC(=O)N2)C3=CC=CC=C3

Technology Process of 4,5-Diphenyl-2-imidazolidinone

There total 6 articles about 4,5-Diphenyl-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: 80.0%

4,5-diphenylimidazolidine-2-thione (16099-67-5) → 4,5-diphenyl-2-imidazolidinone (100820-83-5)

Guidance literature:

With selenium(IV) oxide; In acetic acid; for 2h; Heating;

Reference yield: 41.0%

(+/-)-1,3-diacetyl-4,5-diphenylimidazolidinethione (137618-20-3,139122-04-6) → 4,5-diphenyl-2-imidazolidinone (100820-83-5) + (4R,5R)-1,3-diacetyl-4,5-diphenyl-2-imidazolidinone

Guidance literature:

With borane-THF; (+)-cis-3-amino-5,6,7,8-dibenzobicyclo<2.2.2>octan-2-ol; In tetrahydrofuran; at 0 - 20 ℃; for 2.5h;

DOI:10.1016/S0040-4039(99)01277-0

Reference yield:

4,5-diphenyl-1,3-dihydro-imidazol-2-one (642-36-4) → 4,5-diphenyl-2-imidazolidinone (100820-83-5)

Guidance literature:

With ethanol; sodium;

upstream raw materials:

4,5-diphenyl-1,3-dihydro-imidazol-2-one

4,5-diphenylimidazolidine-2-thione

2-(4,5-diphenyl-2-imidazolin-2-ylthio)acetic acid

(+/-)-1,3-diacetyl-4,5-diphenylimidazolidinethione

Downstream raw materials:

meso-1,2-diphenyl-1,2-diaminoethane

N,N'-dibenzoylurea