ChemicalBook--->CAS DataBase List--->17969-20-9

17969-20-9

17969-20-9 Structure

17969-20-9 Structure
IdentificationBack Directory
[Name]

2-[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
[CAS]

17969-20-9
[Synonyms]

mialex
8L-323S
Fenclozic
ici54,450
fenclozicacid
acidofenclozico
acidumfenclozicum
Acide p-chlorophenyl-2
2-(4-chlorophenyl)-4-thiazoleaceticaci
2-(p-chlorophenyl)-4-thiazoleaceticaci
2-(4-chlorophenyl)-4-thiazoleaceticacid
2-(p-chlorophenyl)-4-thiazole-aceticacid
2-(p-chlorophenyl)thiazol-4-ylaceticacid
acidep-chlorophenyl-2thiazole-acetique-4
2-(4-chlorophenyl)-thiazol-4-ylaceticacid
4-Thiazoleacetic acid, 2-(4-chlorophenyl)-
4-THIAZOLEACETIC ACID, 2-(p-CHLOROPHENYL)-
2-[2-(4-chlorophenyl)-4-thiazolyl]acetic acid
2-[2-(4-chlorophenyl)thiazol-4-yl]acetic acid
[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
4-Thiazoleacetic acid, 2-(4-chlorophenyl)- (9CI)
2-[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethanoic acid
[Molecular Formula]

C11H8ClNO2S
[MDL Number]

MFCD00721754
[MOL File]

17969-20-9.mol
[Molecular Weight]

253.7
Chemical PropertiesBack Directory
[Melting point ]

150-152°C
[Boiling point ]

145°C (rough estimate)
[density ]

1.2270 (rough estimate)
[refractive index ]

1.6300 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.83±0.10(Predicted)
[color ]

Off-White to Pale Brown
[InChI]

1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
[InChIKey]

APBSKHYXXKHJFK-UHFFFAOYSA-N
[SMILES]

OC(=O)Cc1csc(n1)-c2ccc(Cl)cc2
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Toxicity]

LD50 in rats, mice (mg/kg): 850, 1000 orally; 250, 300 i.v. (Hepworth)
Hazard InformationBack Directory
[Originator]

Fenclozic Acid,ZYF Pharm Chemical
[Uses]

Fenclozic Acid is a a potent antiinflammatory agent with analgesic and antipyretic properties and is a human hepatotoxic drug.
[Manufacturing Process]

3.7 parts of 2-(4-chlorophenyl)-4-cyanomethylthiazole and 35 parts of 6 N hydrochloric acid are heated under reflux for 2 hours. The solution is cooled by the addition of ice and made alkaline to pH 8 by the addition of 30% aqueous ammonia. The mixture is filtered to remove trace impurities, and an excess of 40% sodium hydroxide solution is then added to the filtrate to cause precipitation of a sodium salt, which is collected by filtration and crystallised from water. There is thus obtained sodium 2-(4-chlorophenyl)thiazol-4- ylacetate, M.P. 13°C (decomposition).
This sodium salt is dissolved in hot water, and the solution is brought to pH 4 by the addition of acetic acid, which causes the precipitation of 2-(4- chlorophenyl)thiazol-4-ylacetic acid. This is collected by filtration, washed with water, and dried in vacuo over phosphorus pentoxide. It has an M.P. 155- 156°C (from ethyl acetate).
[Therapeutic Function]

Antiinflammatory, Analgesic, Antipyretic
Spectrum DetailBack Directory
[Spectrum Detail]

2-[2-(4-CHLOROPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID(17969-20-9)1HNMR
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