Ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
• CAS No.: 138907-73-0
• Molecular Formula: C12H11FN2O2
• Molecular Weight: 234.23
• DSSTox Substance ID: DTXSID10566687
• Nikkaji Number: J3.384.823D
• Wikidata: Q82452419
• Mol file: 138907-73-0.mol

Synonyms:ETHYL 1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE;138907-73-0;Ethyl 1-(4-fluorophenyl)pyrazole-4-carboxylate;1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester;MFCD16036989;SCHEMBL1194458;OSM-S-244;DTXSID10566687;MEUROLLIWZOVNK-UHFFFAOYSA-N;AKOS015902163;DS-6703;SY106283;CS-0151716;ethyl1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Chemical Property of Ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Chemical Property:

• Appearance/Colour: white crystalline power
• PSA: 44.12000
• LogP: 2.18810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 234.08045576
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

There total 9 articles about Ethyl 1-(4-fluorophenyl)-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: 95.0%

propynoic acid ethyl ester (623-47-2) + 3-(4-fluorophenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate (5352-95-4) → ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (138907-73-0)

Guidance literature:

With copper(II) acetate monohydrate; In 1,2-dichloro-benzene; at 140 ℃; for 4h; regioselective reaction; Inert atmosphere;

DOI:10.1002/chem.201406118

Reference yield: 90.0%

ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (138907-68-3) → ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (138907-73-0)

Guidance literature:

With isopentyl nitrite; In tetrahydrofuran; for 20h; Reflux;

DOI:10.1021/jm901378u

Reference yield: 79.0%

1-(4-fluorophenyl)-2-tosyldiazene + ethyl 2-((tert-butoxycarbonyloxy)methyl)acrylate → ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate (138907-73-0)

Guidance literature:

With tributylphosphine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/ol503735c

upstream raw materials:

ethyl 2-formyl-3-oxopropanoate

4-fluorophenylhydrazine

ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

4-ethoxycarbonylpyrazole

Downstream raw materials:

1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

N-(3-cyano-4-neopentyloxyphenyl)-N-[1-(4-fluorophenyl)pyrazol-4-ylcarbonyl]glycine

N-{3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)pyrrolecarboxamide

[1-(4-Fluoro-phenyl)-1H-pyrazol-4-yl]-acetonitrile