ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate
• CAS No.: 70015-76-8
• Molecular Formula: C12H13N3O2
• Molecular Weight: 231.254
• DSSTox Substance ID: DTXSID70220278
• Nikkaji Number: J2.015.534E,J2.562.535H
• Wikidata: Q83097433
• Mol file: 70015-76-8.mol

Synonyms:70015-76-8;ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate;4-Amino-5-phenyl-3-pyrazolecarboxylic acid ethyl ester;3-Pyrazolecarboxylic acid, 4-amino-5-phenyl-, ethyl ester;Ethyl 4-amino-5-phenylpyrazole-(1H)-3-carboxylate;SCHEMBL1753182;DTXSID70220278;FQKQUJAPEZEESK-UHFFFAOYSA-N;1H-Pyrazole-3-carboxylic acid, 4-amino-5-phenyl-, ethyl ester;VCA01576;DS-19844;LS-128274;F17499;ethyl4-amino-3-phenyl-1H-pyrazole-5-carboxylate;A917555;3-Phenyl-4-amino-1H-pyrazole-5-carboxylic acid ethyl ester;4-Amino-5-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester;4-Amino-5-phenyl-2H-pyrazole-3-carboxylic acid ethyl ester;Ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate 70015-76-8

Chemical Property of ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 2.13E-08mmHg at 25°C
• Melting Point: 145-146 °C(Solv: benzene (71-43-2))
• Boiling Point: 453.1°Cat760mmHg
• PKA: 14.26±0.50(Predicted)
• Flash Point: 227.8°C
• PSA: 81.00000
• Density: 1.264g/cm³
• LogP: 2.41680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

Ethyl4-amino-3-phenyl-1H-pyrazole-5-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N

Technology Process of ethyl 4-amino-3-phenyl-1H-pyrazole-5-carboxylate

There total 17 articles about ethyl 4-amino-3-phenyl-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: 85.0%

4-nitroso-5-phenyl-2H-pyrazole-3-carboxylic acid ethyl ester (70015-74-6) → 4-amino-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester (70015-76-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 5h; under 2327.23 Torr;

Reference yield: 74.7%

3-(4-chlorophenyl)-4-phenylazo-1H-pyrazole-5-carboxylic acid ethyl ester (1224879-13-3) → 4-amino-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester (70015-76-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 4h; under 1500.15 Torr;

DOI:10.1007/s00044-010-9328-z

Reference yield: 64.3%

C18H16N4O2 (1224879-11-1) → 4-amino-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester (70015-76-8)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; In ethanol; Cooling with ice;

DOI:10.1007/s00044-010-9328-z

upstream raw materials:

diazoacetic acid ethyl ester

phenylacetonitrile

ethyl 4-phenyl-4-hydroximino-2-oxobutyrate

ethyl 2,4-dioxo-4-phenylbutyrate

Downstream raw materials:

ethyl 4-dimethylamino-3-phenyl-1-methyl-(1H)-pyrazole-3-carboxylate

ethyl 4-dimethylamino-5-phenyl-1-methyl-(1H)-pyrazole-3-carboxylate

ethyl 4-dimethylamino-5-phenylpyrazole-(1H)-3-carboxylate

4-Amino-5-phenyl-1H-pyrazole-3-carboxylic acid