Fentiazac

Base Information

• Chemical Name: Fentiazac
• CAS No.: 18046-21-4
• Molecular Formula: C17H12 Cl N O2 S
• Molecular Weight: 329.807
• European Community (EC) Number: 241-958-1
• NSC Number: 282191
• UNII: 0YHF6E6NLS
• DSSTox Substance ID: DTXSID8023050
• Nikkaji Number: J3.145C
• Wikipedia: Fentiazac
• Wikidata: Q3742491
• NCI Thesaurus Code: C81063
• Metabolomics Workbench ID: 154047
• ChEMBL ID: CHEMBL589092
• Mol file: 18046-21-4.mol

Synonyms:2-phenyl-4-(p-chlorophenyl)thiazol-5-ylacetic acid;4-(p-chlorophenyl)-2-phenyl-5-thiazoleacetic acid;Br 700;CH 800;Donorest;fentiazac;Norvedan

Chemical Property of Fentiazac

Chemical Property:

• Vapor Pressure: 3.3E-13mmHg at 25°C
• Melting Point: 162°C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 556.2°Cat760mmHg
• PKA: 3.89±0.10(Predicted)
• Flash Point: 290.2°C
• PSA: 78.43000
• Density: 1.362g/cm³
• LogP: 4.75760
• Water Solubility.: 31.66mg/L(25 oC)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.0277275
• Heavy Atom Count: 22
• Complexity: 381

Purity/Quality:

99% ^*data from raw suppliers

2-(4-(4-Chlorophenyl)-2-phenylthiazol-5-yl)aceticacid 95% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl
• Uses: Anti-inflammatory.
• Therapeutic Function: Analgesic, Antipyretic, Antiinflammatory

Technology Process of Fentiazac

There total 9 articles about Fentiazac 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: 89.0%

C21H20ClNO2S → fentiazac (18046-21-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 25 ℃; for 3h; Inert atmosphere;

DOI:10.1002/chem.202101256

Reference yield: 75.0%

4-(4′-chlorophenyl)-2-phenylthiazole (122395-24-8) + chloroacetic acid (79-11-8) → fentiazac (18046-21-4)

Guidance literature:

With aluminum (III) chloride; at 20 ℃;

Reference yield:

3-bromo-3-(4-chlorobenzoyl)propionic acid (35158-39-5) + benzenecarbothioamide (2227-79-4) → fentiazac (18046-21-4)

Guidance literature:

In N,N-dimethyl-formamide;

DOI:10.1021/jm00257a010

upstream raw materials:

3-bromo-3-(4-chlorobenzoyl)propionic acid

benzenecarbothioamide

4-vinylbenzyl chloride

4-(4′-chlorophenyl)-2-phenylthiazole

Downstream raw materials:

2-[4-(4-chloro-phenyl)-2-phenyl-thiazol-5-yl]-acetamide

[4-(4-chloro-phenyl)-2-phenyl-thiazol-5-yl]-acetic acid butyl ester

(CH₃)3Sn(C₁₇H₁₁ClNO₂S)*H₂O

[4-(4-chloro-phenyl)-2-phenyl-thiazol-5-yl]-acetonitrile

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