ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
• CAS No.: 477710-46-6
• Molecular Formula: C₁₄H₁₅FN₂O₂
• Molecular Weight: 262.284
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID601175032

Synonyms:ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate;477710-46-6;ethyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate;SCHEMBL6052477;DTXSID601175032;CUA71046;MFCD02083006;AKOS005083602;1R-0639;ethyl1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

Chemical Property of ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.11175589
• Heavy Atom Count: 19
• Complexity: 319

Purity/Quality:

98% ^*data from raw suppliers

Ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)F)C

Technology Process of ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

There total 1 articles about ethyl 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate 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:

4-fluorophenylhydrazine (371-14-2) + ethyl 2-acetylacetoacetate (603-69-0) → ethyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate (477710-46-6)

Guidance literature:

In ethanol; for 3h; Heating / reflux;

Reference yield:

ethyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate (477710-46-6) → 1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid (288251-63-8)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 0.5h; Heating / reflux;

Reference yield:

ethyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate (477710-46-6) → N-{3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (288250-11-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / ethanol; water / 0.5 h / Heating / reflux

2: thionyl chloride / 1,2-dichloro-ethane / 1 h / 83 °C

3: pyridine / 1 h / Cooling with ice

With sodium hydroxide; thionyl chloride; In pyridine; ethanol; water; 1,2-dichloro-ethane;

upstream raw materials:

4-fluorophenylhydrazine

ethyl 2-acetylacetoacetate

Downstream raw materials:

1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

N-{3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

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