1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
• CAS No.: 618098-78-5
• Molecular Formula: C₁₆H₉F₃N₂O
• Molecular Weight: 302.255
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50397437
• Wikidata: Q82198769
• Mol file: 618098-78-5.mol

Synonyms:618098-78-5;1-(2,4-DIFLUOROPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE;1-(2,4-difluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde;DTXSID50397437;MFCD05150412;AKOS024412151

Chemical Property of 1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

Chemical Property:

• PSA: 34.89000
• LogP: 3.76910
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 302.06669740
• Heavy Atom Count: 22
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

1-(2,4-DIFLUOROPHENYL)-3-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN(C=C2C=O)C3=C(C=C(C=C3)F)F)F

Technology Process of 1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

There total 1 articles about 1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde 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:

2,4-difluorophenylhydrazine (40594-30-7) + 1-(4-fluorophenyl)ethanone (403-42-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-(2,4-difluoro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrazole-4-carbaldehyde (618098-78-5)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 20 - 70 ℃; for 5h;

DOI:10.1515/HC.2004.10.4-5.331

Reference yield: 71.0%

ethyl acetoacetate (141-97-9) + thiourea (17356-08-0) + 1-(2,4-difluoro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrazole-4-carbaldehyde (618098-78-5) → 4-[1-(2,4-difluoro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrazol-4-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1515/HC.2004.10.4-5.331

Reference yield:

1-(2,4-difluoro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrazole-4-carbaldehyde (618098-78-5) → 1-(2,4-difluoro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrazole-4-carbaldehyde oxime

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; for 6h; Heating;

upstream raw materials:

2,4-difluorophenylhydrazine

1-(4-fluorophenyl)ethanone

N,N-dimethyl-formamide

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