Fenclozic acid

Base Information

• Chemical Name: Fenclozic acid
• CAS No.: 17969-20-9
• Molecular Formula: C11H8 Cl N O2 S
• Molecular Weight: 253.709
• Hs Code.: 2934100090
• UNII: 58SRQ4DV53
• DSSTox Substance ID: DTXSID4046157
• Nikkaji Number: J10.994K
• Wikipedia: Fenclozic_acid
• Wikidata: Q5443206
• NCI Thesaurus Code: C65645
• ChEMBL ID: CHEMBL1909282
• Mol file: 17969-20-9.mol

Synonyms:2-(4-chlorophenyl)-4--thiazoleacetic acid;fenclozic acid;fenclozic acid, potassium salt;fenclozic acid, sodium salt;ICI 54450;ICI-54,450

Chemical Property of Fenclozic acid

Chemical Property:

• Vapor Pressure: 1.08E-08mmHg at 25°C
• Melting Point: 150-152°C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 444.7°Cat760mmHg
• Flash Point: 222.8°C
• PSA: 78.43000
• Density: 1.434g/cm³
• LogP: 3.09060
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.9964274
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

FenclozicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=CS2)CC(=O)O)Cl
• Uses: Fenclozic Acid is a a potent antiinflammatory agent with analgesic and antipyretic properties and is a human hepatotoxic drug.
• Therapeutic Function: Antiinflammatory, Analgesic, Antipyretic

Technology Process of Fenclozic acid

There total 2 articles about Fenclozic acid 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:

2-(2-(4-chlorophenyl)thiazol-4-yl)ethan-1-ol (27473-03-6) → fenclozic acid (17969-20-9)

Guidance literature:

With Penicillium duclauxi; In water; for 76h;

DOI:10.1021/jm00280a012

Reference yield:

→ fenclozic acid (17969-20-9)

Guidance literature:

2-(4-Chlorphenyl)-4-cyanmethylthiazol, HCl;

Reference yield: 77.0%

fenclozic acid (17969-20-9) → C10H7(2)HClNS

Guidance literature:

With 2,4,6-trimethyl-pyridine; 2,4,6-Triisopropylthiophenol; water-d2; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; Irradiation;

DOI:10.1039/d1sc00528f

upstream raw materials:

2-(2-(4-chlorophenyl)thiazol-4-yl)ethan-1-ol

Downstream raw materials:

N-{[2-(4-chloro-phenyl)-thiazol-4-yl]-acetyl}-glycine methyl ester

2-[2-(4-chloro-phenyl)-thiazol-4-yl]-N-cyclohexyl-N-cyclohexylcarbamoyl-acetamide

N-{[2-(4-chloro-phenyl)-thiazol-4-yl]-acetyl}-serine methyl ester

N-{[2-(4-chloro-phenyl)-thiazol-4-yl]-acetyl}-alanine methyl ester

Refernces

• 1、 Howe,Moore,Rao,Wood. "Metabolism of 2-(4-chlorophenyl)thiazol-4-ylacetic acid (fenclozic acid) and related compounds by microorganisms.". . p. 1040 - 1045. Retrieved 2007/10/05.