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

Base Information

• Chemical Name: ethyl 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
• CAS No.: 15001-13-5
• Molecular Formula: C13H15N3O3
• Molecular Weight: 261.28
• Hs Code.: 2933199090
• European Community (EC) Number: 650-966-8
• Nikkaji Number: J920.449K
• Mol file: 15001-13-5.mol

Synonyms:ethyl 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate;15001-13-5;Ethyl 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylate;MFCD00973938;BUDSDMNAGPWSFE-UHFFFAOYSA-N;SCHEMBL1356015;AKOS000313590;AT38780;BS-4778;EN300-230863;Ethyl5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylate;5-Amino-1-(4-methoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester;5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid, ethyl ester

Chemical Property of ethyl 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate

Chemical Property:

• Melting Point: 107-109 °C(Solv: methanol (67-56-1))
• Boiling Point: 418.6±35.0 °C(Predicted)
• PKA: 0.83±0.10(Predicted)
• PSA: 79.37000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 2.22100
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 261.11134135
• Heavy Atom Count: 19
• Complexity: 306

Purity/Quality:

95% ^*data from raw suppliers

ETHYL 5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ethyl 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate

There total 8 articles about ethyl 5-amino-1-(4-methoxyphenyl)-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: 86.0%

ethyl (ethoxymethylene)cyanoacetate (42466-67-1,42466-69-3) + 4-Methoxyphenylhydrazine (3471-32-7) → ethyl 5-amino-1-(4-methoxy)phenyl-1H-pyrazole-4-carboxylate (15001-13-5)

Guidance literature:

In ethanol; for 12h; Heating;

DOI:10.1002/jhet.5570380506

Reference yield: 86.0%

4-methoxyphenylhydrazine hydrochloride (19501-58-7) + ethyl (ethoxymethylene)cyanoacetate (94-05-3,42466-69-3) → ethyl 5-amino-1-(4-methoxy)phenyl-1H-pyrazole-4-carboxylate (15001-13-5)

Guidance literature:

In ethanol; at 80 ℃; for 12h;

DOI:10.1016/j.chembiol.2018.06.006

Reference yield: 83.0%

4-Methoxyphenylhydrazine (3471-32-7) + ethyl (ethoxymethylene)cyanoacetate (94-05-3,42466-69-3) → ethyl 5-amino-1-(4-methoxy)phenyl-1H-pyrazole-4-carboxylate (15001-13-5)

Guidance literature:

In ethanol; for 0.333333h; Reflux;

DOI:10.1016/j.ica.2018.06.033

upstream raw materials:

ethyl (ethoxymethylene)cyanoacetate

4-Methoxyphenylhydrazine

4-methoxyphenylhydrazine hydrochloride

2-cyano-3-ethoxyacrylic acid ethyl ester

Downstream raw materials:

ethyl 1-(4-methoxyphenyl)-5-pyrrol-1-yl-1H-pyrazole-4-carboxylate

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

5-chloro-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid, ethyl ester

C₁₅H₁₉N₃O₇S₂