1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-chlorophenyl)-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-chlorophenyl)-, ethyl ester
• CAS No.: 91857-59-9
• Molecular Formula: C₁₂H₁₂ClN₃O₂
• Molecular Weight: 265.699
• ChEMBL ID: CHEMBL2234220
• DSSTox Substance ID: DTXSID00919486
• Wikidata: Q82892011
• Mol file: 91857-59-9.mol

Synonyms:91857-59-9;ethyl 4-amino-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate;CHEMBL2234220;ETHYL 4-AMINO-5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE;3-Pyrazolecarboxylic acid, 4-amino-5-(p-chlorophenyl)-, ethyl ester;1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-chlorophenyl)-, ethyl ester;4-Amino-5-(p-chlorophenyl)-3-pyrazolecarboxylic acid ethyl ester;DTXSID00919486;BDBM50486287;ethyl 4-amino-3-(4-chlorophenyl)-pyrazole-5-carboxylate

Chemical Property of 1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-chlorophenyl)-, ethyl ester

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 265.0618043
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-chlorophenyl)-, ethyl ester

There total 5 articles about 1H-Pyrazole-3-carboxylic acid, 4-amino-5-(4-chlorophenyl)-, ethyl ester 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: 76.8%

3-(4-chlorophenyl)-4-phenylazo-1H-pyrazole-5-carboxylic acid ethyl ester (1224879-13-3) → ethyl 4-amino-5-(4-chlorophenyl)-2H-pyrazole-3-carboxylate (91857-59-9)

Guidance literature:

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

DOI:10.1007/s00044-010-9328-z

Reference yield:

C12H10ClN3O3 (1221066-54-1) → ethyl 4-amino-5-(4-chlorophenyl)-2H-pyrazole-3-carboxylate (91857-59-9)

Guidance literature:

With hydrogenchloride; indium; In tetrahydrofuran; water; at 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2010.01.029

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + p-chlorobenzyl cyanide (140-53-4) → ethyl 4-amino-5-(4-chlorophenyl)-2H-pyrazole-3-carboxylate (91857-59-9)

Guidance literature:

With sodium ethanolate; In ethanol; at 0 ℃;

DOI:10.3987/COM-06-10824

upstream raw materials:

diazoacetic acid ethyl ester

p-chlorobenzyl cyanide

C₁₂H₁₀ClN₃O₃

3-(4-chlorophenyl)-4-phenylazo-1H-pyrazole-5-carboxylic acid ethyl ester

Downstream raw materials:

C₁₁H₇ClN₄O