4,4-dichloro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Base Information

• Chemical Name: 4,4-dichloro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
• CAS No.: 24515-10-4
• Molecular Formula: C10H8Cl2N2O
• Molecular Weight: 243.092
• European Community (EC) Number: 667-251-1
• DSSTox Substance ID: DTXSID70357215
• Wikidata: Q82137027
• Mol file: 24515-10-4.mol

Synonyms:STK365599;24515-10-4;4,4-Dichloro-3-methyl-1-phenyl-3-pyrazolin-5-one;4,4-dichloro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one;DTXSID70357215;AKOS000732614;1-Phenyl-3-methyl-4,4-dichlor-pyrazolon-(5)

Chemical Property of 4,4-dichloro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

• Vapor Pressure: 2.2E-05mmHg at 25°C
• Boiling Point: 360.6°Cat760mmHg
• Flash Point: 171.9°C
• Density: 1.4g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.0013683
• Heavy Atom Count: 15
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1(Cl)Cl)C2=CC=CC=C2

Technology Process of 4,4-dichloro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

There total 4 articles about 4,4-dichloro-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one 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: 84.0%

edaravone (89-25-8) → 4,4-Dichlor-3-methyl-1-phenyl-pyrazolin-5-on (24515-10-4)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; In acetic acid; at 20 ℃; for 2h;

DOI:10.1055/s-1985-31185

Reference yield:

→ 4,4-Dichlor-3-methyl-1-phenyl-pyrazolin-5-on (24515-10-4)

Guidance literature:

With hydrogenchloride; calcium chloride;

Reference yield:

3-methyl-1-phenylpyrazolin-5(4H)-one (19735-89-8) → 4,4-Dichlor-3-methyl-1-phenyl-pyrazolin-5-on (24515-10-4)

Guidance literature:

With chlorine; acetic acid;

upstream raw materials:

3-methyl-1-phenylpyrazolin-5(4H)-one

edaravone

Downstream raw materials:

2-Chlor-3-phenylazo-but-2-ensaeureethylester

3-Methyl-4,4-bis(4-nitro-phenoxy)-1-phenyl-pyrazolin-5-on

2-Chlor-3-phenylazo-but-2-ensaeureethylamid

edaravone

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