2,4-Imidazolidinedione, 5-[(3-chlorophenyl)methylene]-

Base Information

• Chemical Name: 2,4-Imidazolidinedione, 5-[(3-chlorophenyl)methylene]-
• CAS No.: 28744-91-4
• Molecular Formula: C10H7ClN2O2
• Molecular Weight: 222.631
• ChEMBL ID: CHEMBL142847
• DSSTox Substance ID: DTXSID10407324
• Mol file: 28744-91-4.mol

Synonyms:2,4-Imidazolidinedione, 5-[(3-chlorophenyl)methylene]-;CHEMBL142847;DTXSID10407324

Chemical Property of 2,4-Imidazolidinedione, 5-[(3-chlorophenyl)methylene]-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.0196052
• Heavy Atom Count: 15
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Imidazolidinedione, 5-[(3-chlorophenyl)methylene]-

There total 1 articles about 2,4-Imidazolidinedione, 5-[(3-chlorophenyl)methylene]- 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%

2,4-imidazolidinedione (461-72-3) + m-Chlorobenzaldehyde (587-04-2) → 5-(m-chlorobenzylidene)hydantoin (28744-91-4)

Guidance literature:

With sodium acetate; In acetic acid; for 8h; Heating;

Reference yield: 93.0%

5-chloroindole 2,3-dione (17630-76-1) + 5-(m-chlorobenzylidene)hydantoin (28744-91-4) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → 1-(3-chloro)phenylhexahydro-1H-pyrrolizine-2-spiro-5'-imidazolidine-2',4'-dione-3-spiro-3''-5-chloroindoline-2''-one

Guidance literature:

In ethanol; at 50 ℃; for 10h; diastereoselective reaction;

DOI:10.3390/molecules18055142

Reference yield: 89.7%

5-(m-chlorobenzylidene)hydantoin (28744-91-4) → 5-(3-Chlorobenzyl)imidazolidine-2,4-dione (76605-41-9)

Guidance literature:

With palladium(II) trifluoroacetate; hydrogen; (S)-(-)-(6,6’-dimethoxybiphenyl-2,2’-diyl)bis(diphenylphosphine); (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl; In isopropyl alcohol; at 60 ℃; for 8h; under 750.075 Torr; enantioselective reaction;

upstream raw materials:

2,4-imidazolidinedione

m-Chlorobenzaldehyde

Downstream raw materials:

3-(3-Chlorphenyl)-2-oxopropansaeure

5-(3-Chlorobenzyl)imidazolidine-2,4-dione