Ethyl 3-methyl-5-phenyl-1h-pyrazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 3-methyl-5-phenyl-1h-pyrazole-4-carboxylate
• CAS No.: 76923-16-5
• Molecular Formula: C13H14 N2 O2
• Molecular Weight: 230.266
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50512845
• Nikkaji Number: J2.523.115E,J2.672.063J
• Wikidata: Q82372263
• Mol file: 76923-16-5.mol

Synonyms:76923-16-5;ethyl 3-methyl-5-phenyl-1h-pyrazole-4-carboxylate;3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;ethyl 5-methyl-3-phenyl-1H-pyrazole-4-carboxylate;SCHEMBL11269746;SCHEMBL19209480;DTXSID50512845;MFCD06659797;AKOS015959769;AB26330;CS-10767;CS-0326423;Ethyl 5-methyl-3-phenylpyrazole-4-carboxylate;D78601;ethyl3-methyl-5-phenyl-1h-pyrazole-4-carboxylate;3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLICACIDETHYLESTER

Chemical Property of Ethyl 3-methyl-5-phenyl-1h-pyrazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 415.183°C at 760 mmHg
• Flash Point: 204.896°C
• PSA: 54.98000
• Density: 1.169g/cm³
• LogP: 2.56180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl3-methyl-5-phenyl-1H-pyrazole-4-carboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NN=C1C2=CC=CC=C2)C

Technology Process of Ethyl 3-methyl-5-phenyl-1h-pyrazole-4-carboxylate

There total 12 articles about Ethyl 3-methyl-5-phenyl-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%

ethyl 2-benzoyl-3-hydroxy but-2-enoate → ethyl 3-methyl-5-phenyl-1H-pyrazole-4-carboxylate (76923-16-5)

Guidance literature:

With hydrazine dihydrochloride; In ethanol; at 20 ℃; for 25h;

DOI:10.1016/j.jorganchem.2008.10.021

Reference yield: 95.0%

ethyl 3-phenyl-2-(1-ethoxyethylidene)-3-oxopropanoate (60868-42-0) → ethyl 3-methyl-5-phenyl-1H-pyrazole-4-carboxylate (76923-16-5)

Guidance literature:

With hydrazine; In ethanol; at -10 ℃; for 2h;

Reference yield: 90.0%

(E)-2-Benzoyl-3-methylamino-but-2-enoic acid ethyl ester (82140-46-3) → ethyl 3-methyl-5-phenyl-1H-pyrazole-4-carboxylate (76923-16-5)

Guidance literature:

With hydrazine hydrate; In acetic acid; at 100 ℃; for 1h;

DOI:10.1055/s-1982-29797

upstream raw materials:

ethyl 3-oxo-2-benzoylbutanoate

semicarbazide hydrochloride

thiosemicarbazide hydrochloride

thiobenzoylhydrazine

Downstream raw materials:

3-methyl-5-phenylpyrazole

3-methyl-5-phenyl-1⁽²⁾H-pyrazole-4-carboxylic acid

4-hydroxymethyl-3-methyl-5-phenyl-1H-pyrazole

ethyl-1,3-dimethyl-5-phenyl-1H-pyrazole-4-carboxylate