4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 701917-03-5
• Molecular Formula: C10H7N3O4
• Molecular Weight: 233.183
• Hs Code.: 2933199090
• Mol file: 701917-03-5.mol

Synonyms:1H-Pyrazole-3-carboxylic acid,4-nitro-1-phenyl;4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid;

Chemical Property of 4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Boiling Point: 455.1±30.0 °C(Predicted)
• PKA: 1.33±0.41(Predicted)
• PSA: 100.94000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 2.00190
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-Nitro-1-phenyl-1H-pyrazole-3-carboxylicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Nitro-1-phenyl-1H-pyrazole-3-carboxylic acid

There total 5 articles about 4-Nitro-1-phenyl-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: 97.0%

4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester (701917-02-4) → 4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid (701917-03-5)

Guidance literature:

4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester; With potassium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 16h;

With hydrogenchloride; In tetrahydrofuran; water;

Reference yield: 86.0%

ethyl 4-nitro-1-phenylpyrazole-3-carboxylate (21443-84-5) → 4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid (701917-03-5)

Guidance literature:

ethyl 4-nitro-1-phenylpyrazole-3-carboxylate; With sodium hydroxide; In ethanol; at 20 ℃; for 2h; Inert atmosphere;

With hydrogenchloride; In ethanol; water; pH=2; Inert atmosphere;

Reference yield:

phenylboronic acid (98-80-6) → 4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid (701917-03-5)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / copper diacetate / dichloromethane / 48 h / 20 °C

2: potassium hydroxide; water / tetrahydrofuran / 16 h / 20 °C

With pyridine; potassium hydroxide; water; copper diacetate; In tetrahydrofuran; dichloromethane;

upstream raw materials:

4-nitro-1-phenyl-1H-pyrazole-3-carboxylic acid methyl ester

phenylboronic acid

ethyl 4-nitro-1-phenylpyrazole-3-carboxylate

aniline

Downstream raw materials:

3-amino-4-nitro-1-phenyl-1H-pyrazole

tert-butyl (3-amino-1-phenyl-1H-pyrazol-4-yl)carbamate

2-naphthyl {4-[({4-[(tert-butoxycarbonyl)amino]-1-phenyl-1H-pyrazol-3-yl}amino)carbonyl]benzyl}carbamate

tert-butyl {3-[(4-{1,1-difluoro-2-[2-(2-methoxybenzoyl)hydrazino]-2-oxoethyl}benzoyl)amino]-1-phenyl-1H-pyrazol-4-yl} carbamate