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

Base Information

• Chemical Name: 5-Phenyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 1134-49-2
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.186
• Hs Code.: 29331990
• Mol file: 1134-49-2.mol

Synonyms:Pyrazole-3-carboxylicacid, 5-phenyl- (8CI);3-Phenyl-1H-pyrazole-5-carboxylic acid;3-Phenyl-5-carboxypyrazole;

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 250 °C
• Refractive Index: 1.645
• Boiling Point: 496.5 °C at 760 mmHg
• Flash Point: 254.1 °C
• PSA: 65.98000
• Density: 1.355 g/cm³
• LogP: 1.77490
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

5-Phenyl-1H-pyrazole-3-carboxylicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

There total 9 articles about 5-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: 57.1%

3-phenylpyrazole-5-carboxylic acid methyl ester (56426-35-8,856061-37-5) → 3-phenyl-1H-pyrazole-5-carboxylic acid (1134-49-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃;

Reference yield:

ethyl 3-phenyl-1H-pyrazole-5-carboxylate (13599-12-7) → 3-phenyl-1H-pyrazole-5-carboxylic acid (1134-49-2)

Guidance literature:

Alkaline hydrolysis;

DOI:10.1016/j.bmcl.2007.06.028

Reference yield:

acetophenone (98-86-2) → 3-phenyl-1H-pyrazole-5-carboxylic acid (1134-49-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium methylate / diethyl ether / 15 h / 20 °C

2: acetic acid; hydrazine / 12 h / 20 °C

3: lithium hydroxide / tetrahydrofuran / 12 h / 20 °C

With sodium methylate; acetic acid; lithium hydroxide; hydrazine; In tetrahydrofuran; diethyl ether;

DOI:10.1016/j.bmcl.2011.05.105

upstream raw materials:

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

ethyl 2,4-dioxo-4-phenylbutyrate

acetophenone

3-phenylpyrazole-5-carboxylic acid methyl ester

Downstream raw materials:

C₂₃H₂₇N₅O

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