5-Formyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 5-Formyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 854699-16-4
• Molecular Formula: C₅H₄N₂O₃
• Molecular Weight: 140.098
• European Community (EC) Number: 898-993-6
• ChEMBL ID: CHEMBL246692
• Mol file: 854699-16-4.mol

Synonyms:5-Formyl-1H-pyrazole-3-carboxylic acid;854699-16-4;CHEMBL246692;SCHEMBL21810960;BDBM50216543;AKOS006344431;3-formyl-1H-pyrazole-5-carboxylic acid;DB-169064;CS-0254907;EN300-144848;G53894;J-517566

Chemical Property of 5-Formyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 140.02219199
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NN=C1C(=O)O)C=O

Technology Process of 5-Formyl-1H-pyrazole-3-carboxylic acid

There total 3 articles about 5-Formyl-1H-pyrazole-3-carboxylic acid 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: 99.0%

ethyl 3(5)-formylpyrazole-5(3)-carboxylate (93290-12-1) → 3-formyl-1H-pyrazole-5-carboxylic acid (854699-16-4,949034-43-9)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 50 ℃; for 3h;

Reference yield:

5-dimethoxymethyl-1H-pyrazole-3-carboxylic acid ethyl ester (840504-43-0) → 3-formyl-1H-pyrazole-5-carboxylic acid (854699-16-4,949034-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.50 g / formic acid / 1 h

2: 90 percent / NaOH / H₂O; methanol / 4 h

With sodium hydroxide; formic acid; In methanol; water;

DOI:10.1007/s11172-006-0093-6

Reference yield:

5-formyl-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester (107518-34-3) → 3-formyl-1H-pyrazole-5-carboxylic acid (854699-16-4,949034-43-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1093/japr/9.3.424

upstream raw materials:

5-formyl-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester

ethyl 3⁽⁵⁾-formylpyrazole-5⁽³⁾-carboxylate

5-dimethoxymethyl-1H-pyrazole-3-carboxylic acid ethyl ester

Downstream raw materials:

3-(4,4,5,5-tetramethyl-3-oxido-1-oxyl-4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazole-5-carboxylic acid