Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate
• CAS No.: 618070-51-2
• Molecular Formula: C14H16N2O3
• Molecular Weight: 260.293
• Hs Code.: 2933199090
• European Community (EC) Number: 632-069-3
• Mol file: 618070-51-2.mol

Synonyms:ETHYL 3-(4-METHOXYPHENYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE;618070-51-2;ethyl 5-(4-methoxyphenyl)-2-methylpyrazole-3-carboxylate;SCHEMBL4692400;AKOS022948294;BS-29087;CS-0204630;FT-0703001;ETHYL3-(4-METHOXYPHENYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE

Chemical Property of Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate

Chemical Property:

• PSA: 53.35000
• LogP: 2.27240
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.11609238
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

95% ^*data from raw suppliers

Ethyl3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NN1C)C2=CC=C(C=C2)OC

Technology Process of Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate

There total 4 articles about Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-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: 93.0%

ethyl 5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate (938182-54-8,229015-76-3) + methyl iodide (74-88-4) → ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate (618070-51-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.ejmech.2014.03.072

Reference yield: 57.0%

ethyl 3-(4-methoxybenzoyl)pyruvate (35322-20-4) + methylhydrazine (60-34-4) → ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate (618070-51-2)

Guidance literature:

In ethanol; at 80 ℃; for 2h;

Reference yield:

1-(4-methoxyphenyl)ethanone (100-06-1) → ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxylate (618070-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran / 1 h / 0 °C

1.2: 1 h / 20 °C

1.3: 3 h / 20 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 20 °C

With potassium carbonate; lithium hexamethyldisilazane; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2014.03.072

upstream raw materials:

ethyl 3-(4-methoxybenzoyl)pyruvate

methylhydrazine

1-(4-methoxyphenyl)ethanone

ethyl 5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate

Downstream raw materials:

N-(2-butoxy-4-(3-(diethylamino)propoxy)phenyl)-3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

N-(4-(3-(diethylamino)propoxy)phenyl)-3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

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

N-(4-(2-(diethylamino)ethoxy)phenyl)-3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide

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