Tioxaprofen

Base Information

• Chemical Name: Tioxaprofen
• CAS No.: 40198-53-6
• Molecular Formula: C18H13 Cl2 N O3 S
• Molecular Weight: 394.278
• Hs Code.: 2934999090
• European Community (EC) Number: 254-834-7
• UNII: RA6D4LW87K
• DSSTox Substance ID: DTXSID60865990
• Nikkaji Number: J16.871H
• Wikidata: Q27288029
• NCI Thesaurus Code: C76822
• ChEMBL ID: CHEMBL2106679
• Mol file: 40198-53-6.mol

Synonyms:2-(4,5-bis(p-chlorophenyl)oxazolyl-(2)-thio)propionic acid;EMD 26 644;EMD 26644;EMD-26644;tioxaprofen;tioxaprofen, sodium salt

Chemical Property of Tioxaprofen

Chemical Property:

• Vapor Pressure: 2.54E-12mmHg at 25°C
• Boiling Point: 536°Cat760mmHg
• Flash Point: 278°C
• PSA: 88.63000
• Density: 1.49g/cm³
• LogP: 5.88060
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 392.9993198
• Heavy Atom Count: 25
• Complexity: 454

Purity/Quality:

99% ^*data from raw suppliers

TIOXAPROFEN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)SC1=NC(=C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Technology Process of Tioxaprofen

There total 2 articles about Tioxaprofen 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:

sodium salt of 2-mercapto-4,5-bis-p-chlorophenyl-oxazole (40198-83-2) + 2-bromopropionic acid sodium salt (56985-74-1) → Na-salt + 2-{[4,5-bis-(4-chlorophenyl)-2-oxazolyl]thio}propanoic acid (40198-53-6)

Guidance literature:

In water; isopropyl alcohol;

Reference yield:

→ 2-{[4,5-bis-(4-chlorophenyl)-2-oxazolyl]thio}propanoic acid (40198-53-6)

Guidance literature:

upstream raw materials:

sodium salt of 2-mercapto-4,5-bis-p-chlorophenyl-oxazole

2-bromopropionic acid sodium salt