Zoliprofen

Base Information

• Chemical Name: Zoliprofen
• CAS No.: 56355-17-0
• Molecular Formula: C₁₂H₁₁NO₃S
• Molecular Weight: 249.29
• UNII: J2GC047H27
• DSSTox Substance ID: DTXSID10866553
• Nikkaji Number: J23.745K
• Wikidata: Q27281063
• NCI Thesaurus Code: C66706
• ChEMBL ID: CHEMBL2107544
• Mol file: 56355-17-0.mol

Synonyms:2-(4-(2-thiazolyloxy)phenyl)-2-methylacetic acid;480156 S;480156-S;480156S

Chemical Property of Zoliprofen

Chemical Property:

• Vapor Pressure: 1.31E-07mmHg at 25°C
• Boiling Point: 414.4°Cat760mmHg
• Flash Point: 204.4°C
• PSA: 87.66000
• Density: 1.33g/cm³
• LogP: 3.12350
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 249.04596439
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

ZOLIPROFEN 95.00% ^*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)OC2=NC=CS2)C(=O)O
• Therapeutic Function: Antiinflammatory, Analgesic

Technology Process of Zoliprofen

There total 6 articles about Zoliprofen 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:

ethyl 2-[4-(2-thiazolyloxy)-phenyl]propionate (56355-16-9) → 2-[4-(2-thiazolyloxy)phenyl]propionic acid (56355-17-0)

Guidance literature:

With potassium carbonate; In methanol; water; Yield given; Heating;

DOI:10.1248/cpb.31.3424

Reference yield:

amino-4-phenyl methyl malonate d'ethyle (61881-50-3) → 2-[4-(2-thiazolyloxy)phenyl]propionic acid (56355-17-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) NaNO₂, H₂O/7.3percent H₂SO₄ / 1.) 0 deg C, 2 h; 2.) toluene, reflux, 15 min

2: 5.5 g / triethylamine / diethyl ether / 2 h / -10 °C

3: H₂S/triethylamine / diethyl ether / 0.83 h / Ambient temperature

4: 85.3 percent / p-toluenesulfonic acid / acetic acid / 1.5 h / 90 - 95 °C

5: K₂CO₃ / methanol; H₂O / Heating

With sulfuric acid; hydrogen sulfide; water; potassium carbonate; toluene-4-sulfonic acid; triethylamine; sodium nitrite; In methanol; diethyl ether; water; acetic acid;

DOI:10.1248/cpb.31.3424

Reference yield:

diethyl (4-hydroxyphenyl)methylmalonate (76510-82-2) → 2-[4-(2-thiazolyloxy)phenyl]propionic acid (56355-17-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 5.5 g / triethylamine / diethyl ether / 2 h / -10 °C

2: H₂S/triethylamine / diethyl ether / 0.83 h / Ambient temperature

3: 85.3 percent / p-toluenesulfonic acid / acetic acid / 1.5 h / 90 - 95 °C

4: K₂CO₃ / methanol; H₂O / Heating

With hydrogen sulfide; potassium carbonate; toluene-4-sulfonic acid; triethylamine; In methanol; diethyl ether; water; acetic acid;

DOI:10.1248/cpb.31.3424

upstream raw materials:

ethyl 2-[4-(2-thiazolyloxy)-phenyl]propionate

amino-4-phenyl methyl malonate d'ethyle

diethyl (4-hydroxyphenyl)methylmalonate

2-(4-Cyanato-phenyl)-2-methyl-malonic acid diethyl ester