4-Fluoroantipyrine

Base Information

• Chemical Name: 4-Fluoroantipyrine
• CAS No.: 5400-60-2
• Molecular Formula: C11H11 F N2 O
• Molecular Weight: 206.22
• Hs Code.: 2933199090
• NSC Number: 10364
• UNII: WPN86Y3SKZ
• DSSTox Substance ID: DTXSID30202318
• Wikidata: Q83075581
• Mol file: 5400-60-2.mol

Synonyms:4-fluoroantipyrine;4-fluoroantipyrine, 18F-labeled

Chemical Property of 4-Fluoroantipyrine

Chemical Property:

• Vapor Pressure: 0.00148mmHg at 25°C
• Boiling Point: 295.9°Cat760mmHg
• Flash Point: 132.8°C
• PSA: 26.93000
• Density: 1.234g/cm³
• LogP: 1.62350
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.08554114
• Heavy Atom Count: 15
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1C)C2=CC=C(C=C2)F

Technology Process of 4-Fluoroantipyrine

There total 6 articles about 4-Fluoroantipyrine 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: 75.0%

→ 2-(4-fluorophenyl)-1,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (5400-60-2)

Guidance literature:

Reference yield:

2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (100553-83-1) + methyl iodide (74-88-4) → 2-(4-fluorophenyl)-1,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (5400-60-2)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 48h;

Reference yield:

ethyl acetoacetate (141-97-9) + 4-fluorophenylhydrazine (371-14-2) + methyl iodide (74-88-4) → 2-(4-fluorophenyl)-1,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (5400-60-2)

Guidance literature:

ethyl acetoacetate; 4-fluorophenylhydrazine; In toluene; at 120 ℃; for 17h; Sealed tube; Molecular sieve; Darkness;

methyl iodide; In toluene; acetonitrile; at 120 ℃; for 17h; Sealed tube; Darkness;

DOI:10.3762/bjoc.9.240

upstream raw materials:

1-(4-fluorophenyl)-3-methyl-5-pyrazolone

dimethyl sulfate

4-fluorophenylhydrazine

2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one