1-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 1-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester
• CAS No.: 26502-56-7
• Molecular Formula: C12H11ClN2O3
• Molecular Weight: 266.68
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID60352618
• Wikidata: Q82129863
• ChEMBL ID: CHEMBL1403604
• Mol file: 26502-56-7.mol

Synonyms:26502-56-7;1-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester;ETHYL 1-(4-CHLOROPHENYL)-4-HYDROXY-1H-PYRAZOLE-3-CARBOXYLATE;ethyl 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylate;Oprea1_347565;MLS000759828;IFLab1_005205;CHEMBL1403604;DTXSID60352618;HMS1426M13;HMS2752L13;BBA50256;STL306075;AKOS002349122;AB90894;SMR000369946;EU-0043113;EN300-236212;SR-01000081938;SR-01000081938-1;Z56855793;F1174-1793

Chemical Property of 1-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester

Chemical Property:

• Melting Point: 137-138 °C
• Boiling Point: 380.0±32.0 °C(Predicted)
• PKA: 8.70±0.19(Predicted)
• PSA: 64.35000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 2.40800
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 266.0458199
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester 92% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester

There total 5 articles about 1-(4-Chloro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid 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:

4-Bromo-2-[(4-chloro-phenyl)-hydrazono]-3-oxo-butyric acid ethyl ester (24123-54-4) → ethyl 4-hydroxy-1-(4-chlorophenyl)-1H-pyrazole-3-carboxylate (26502-56-7)

Guidance literature:

With sodium acetate; In ethanol; for 3h; Heating;

Reference yield:

ethyl 4-chloro-2-(4-chlorophenylhydrazono)-3-oxobutanoate → ethyl 4-hydroxy-1-(4-chlorophenyl)-1H-pyrazole-3-carboxylate (26502-56-7)

Guidance literature:

With ethanol; potassium acetate;

Reference yield:

ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 4-hydroxy-1-(4-chlorophenyl)-1H-pyrazole-3-carboxylate (26502-56-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium acetate; ethanol

2: potassium acetate; ethanol

With ethanol; potassium acetate; sodium acetate;

upstream raw materials:

4-Bromo-2-[(4-chloro-phenyl)-hydrazono]-3-oxo-butyric acid ethyl ester

ethyl (2-chloroaceto)acetate

4-chlorophenyldiazonium salt

Downstream raw materials:

ethyl 4-allyloxy-1-(4-chlorophenyl)-1H-pyrazole-3-carboxylate

1-(4-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid

1-(4-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid hydrazide