Methyl 3-(acetylamino)-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxylate

Base Information

Chemical Name:Methyl 3-(acetylamino)-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxylate
CAS No.:650609-98-6
Molecular Formula:C15H17N3O4
Molecular Weight:303.318
Hs Code.:
DSSTox Substance ID:DTXSID801141021

Synonyms:DTXSID801141021;Methyl 3-(acetylamino)-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxylate;650609-98-6

Suppliers and Price of Methyl 3-(acetylamino)-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 3-(acetylamino)-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxylate

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:303.12190603
Heavy Atom Count:22
Complexity:396

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=NN(C(=C1)C(=O)OC)CC2=CC=C(C=C2)OC

Technology Process of Methyl 3-(acetylamino)-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxylate

There total 4 articles about Methyl 3-(acetylamino)-1-[(4-methoxyphenyl)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: 68.0%

: 75-36-5
acetyl chloride

: 625386-12-1
5-amino-2-(p-methoxybenzyl)-2H-pyrazole-3-carboxylic acid methyl ester

: 650609-98-6
5-acetylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carboxylic acid methyl ester

Guidance literature:: With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 20h;
DOI:10.1055/s-2003-41031

Reference yield:

: 2746-25-0
p-Methoxybenzyl bromide

: 650609-98-6
5-acetylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 88 percent / K₂CO₃ / dimethylformamide / 18 h / 50 °C

2: 75 percent / H₂ / 10 percent Pd/C / methanol; tetrahydrofuran

3: 68 percent / i-Pr₂NEt; DMAP / CH₂Cl₂ / 20 h / 20 °C

With dmap; hydrogen; potassium carbonate; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1055/s-2003-41031

Reference yield:

: 625386-10-9
2-(4-methoxybenzyl)-5-nitro-2H-pyrazole-3-carboxylic acid methyl ester

: 650609-98-6
5-acetylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / H₂ / 10 percent Pd/C / methanol; tetrahydrofuran

2: 68 percent / i-Pr₂NEt; DMAP / CH₂Cl₂ / 20 h / 20 °C

With dmap; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1055/s-2003-41031