Butibufen

Base Information

• Chemical Name: Butibufen
• CAS No.: 55837-18-8
• Molecular Formula: C14H20 O2
• Molecular Weight: 220.312
• European Community (EC) Number: 259-849-2
• UNII: JSS1TEM917
• DSSTox Substance ID: DTXSID201021603,DTXSID60866508
• Nikkaji Number: J11.041H
• Wikidata: Q3647708
• NCI Thesaurus Code: C73083
• ChEMBL ID: CHEMBL454450
• Mol file: 55837-18-8.mol

Synonyms:butibufen;butibufen sodium;butibufen sodium salt;Mijal

Chemical Property of Butibufen

Chemical Property:

• Vapor Pressure: 4.83E-05mmHg at 25°C
• Melting Point: 51-53°
• Boiling Point: 335.1°Cat760mmHg
• PKA: 4.41±0.10(Predicted)
• Flash Point: 232.1°C
• PSA: 37.30000
• Density: 1.015g/cm³
• LogP: 3.46330
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 215

Purity/Quality:

95-99% ^*data from raw suppliers

Butibufen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)CC(C)C)C(=O)O
• Description: Butibufen is a new phenylalkanoic antiinflammatory/analgesic useful in the treatment of rheumatologic conditions. In a study of patients with osteoarthritis, the onset of action of butibufen was faster with less frequent and milder side effects than indomethacin.
• Uses: Anti-inflammatory.
• Therapeutic Function: Antiinflammatory, Analgesic

Technology Process of Butibufen

There total 4 articles about Butibufen 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: 100.0%

2-(4-isobutyl-phenyl)-2-butenoic acid → 2-(4-isobutyl-phenyl)-butyric acid (55837-18-8,108789-32-8,254886-68-5)

Guidance literature:

Reference yield: 100.0%

→ 2-(4-isobutyl-phenyl)-butyric acid (55837-18-8,108789-32-8,254886-68-5)

Guidance literature:

Reference yield: 64.0%

carbon dioxide (124-38-9,18923-20-1) + (E/Z)-1-isobutyl-4-(prop-1-en-1-yl)benzene (90708-64-8) → 2-(4-isobutyl-phenyl)-butyric acid (55837-18-8,108789-32-8,254886-68-5)

Guidance literature:

(E/Z)-1-isobutyl-4-(prop-1-en-1-yl)benzene; With 9-borabicyclo[3.3.1]nonane dimer; In 1,2-dimethoxyethane; at 70 ℃; for 24h;

carbon dioxide; With cesium fluoride; In 1,2-dimethoxyethane; at 120 ℃; for 24h;

DOI:10.1039/c9sc02467k

upstream raw materials:

sulfuric acid

2-(4-isobutylphenyl)butanenitrile

carbon dioxide

(E/Z)-1-isobutyl-4-(prop-1-en-1-yl)benzene

Downstream raw materials:

N-Hydroxy-2-(4-isobutyl-phenyl)-N-methyl-butyramide

2-(4-isobutylphenyl)butyric chloride

Refernces

• 1、 -. "Process for preparing α-hydroxy-alkanoic acids and compounds obtained by this process". . . Retrieved 2008/06/13.
• 2、 -. "Phenylalkanoic compounds and therapeutic use thereof". . . Retrieved 2008/06/13.