Pirprofen

Base Information

• Chemical Name: Pirprofen
• CAS No.: 31793-07-4
• Molecular Formula: C13H14 Cl N O2
• Molecular Weight: 251.713
• Hs Code.: 2933990090
• European Community (EC) Number: 250-805-8
• UNII: T7KN291890
• DSSTox Substance ID: DTXSID7023489
• Nikkaji Number: J20.028J
• Wikipedia: Pirprofen
• Wikidata: Q3905662
• NCI Thesaurus Code: C170327
• Metabolomics Workbench ID: 154507
• ChEMBL ID: CHEMBL188952
• Mol file: 31793-07-4.mol

Synonyms:2-(3-chloro-4-(3-pyrroli-1-yl)phenyl)propionic acid;pirprofen;Rengasil;SU-21524

Chemical Property of Pirprofen

Chemical Property:

• Vapor Pressure: 1.74E-07mmHg at 25°C
• Melting Point: 98-100°
• Refractive Index: 1.5270 (estimate)
• Boiling Point: 410.8°Cat760mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 202.2°C
• PSA: 40.54000
• Density: 1.298g/cm³
• LogP: 2.96930
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 251.0713064
• Heavy Atom Count: 17
• Complexity: 311

Purity/Quality:

98%min ^*data from raw suppliers

Pirprofen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=C(C=C1)N2CC=CC2)Cl)C(=O)O
• Uses: Anti-inflammatory. Pirprofen is a non-steroidal anti-inflammatory drug.
• Therapeutic Function: Antiinflammatory

Technology Process of Pirprofen

There total 1 articles about Pirprofen 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:

→ pirprofen (31793-07-4)

Guidance literature:

Ethylester Va, EtOH-KOH;

DOI:10.1007/BF01930384

Reference yield:

pirprofen (31793-07-4) → pirprofen N-oxide (31796-82-4)

Guidance literature:

With peracetic acid; In ethyl acetate; Ambient temperature;

DOI:10.1021/jo00147a032

Reference yield:

pirprofen (31793-07-4) → 2-<3-chloro-4-(6-oxa-3-azabicyclo<3.1.0>hex-3-yl)phenyl>propionic acid (59235-33-5)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether / 0.5 h

2: acetonitrile, 30percent H₂O₂, K₂CO₃ / methanol / 2.5 h / Ambient temperature

3: 0.3 g / 5percent KOH / methanol / 2 h / Ambient temperature

With potassium hydroxide; dihydrogen peroxide; potassium carbonate; acetonitrile; In methanol; diethyl ether;

DOI:10.1021/jo00147a032

Downstream raw materials:

pirprofen N-oxide

C₄₂H₇₀O₃₅*C₁₃H₁₄ClNO₂

2-<3-chloro-4-(6-oxa-3-azabicyclo<3.1.0>hex-3-yl)phenyl>propionic acid

2-[3-Chloro-4-(6-oxa-3-aza-bicyclo[3.1.0]hex-3-yl)-phenyl]-propionic acid methyl ester

Refernces

• 1、 Carney,Chart,Goldstein,Howie,Wojtkunski. "A potent non steroidal antiinflammatory agent: 2 [3 chloro 4(3 pyrrolinyl)phenyl] propionic acid". . p. 938 - 938. Retrieved 2007/10/05.