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ChemicalBook--->CAS DataBase List--->161798-01-2

161798-01-2

161798-01-2 Structure

161798-01-2 Structure
IdentificationMore
[Name]

ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate
[CAS]

161798-01-2
[Synonyms]

ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate
2-(3-Formyl-4-hydroxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester
[EINECS(EC#)]

692-179-2
[Molecular Formula]

C14H13NO4S
[MDL Number]

MFCD13194810
[Molecular Weight]

291.32
[MOL File]

161798-01-2.mol
Chemical PropertiesBack Directory
[Melting point ]

116 °C
[Boiling point ]

446.7±55.0 °C(Predicted)
[density ]

1.335
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

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

Solid
[pka]

6.81±0.20(Predicted)
[color ]

Pale Yellow to Yellow
[InChI]

InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,17H,3H2,1-2H3
[InChIKey]

NJRGQNNSIAFIJC-UHFFFAOYSA-N
[SMILES]

S1C(C(OCC)=O)=C(C)N=C1C1=CC=C(O)C(C=O)=C1
[CAS DataBase Reference]

161798-01-2(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2934100090
Hazard InformationBack Directory
[Description]

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate(161798-01-2) is a pharmaceutical intermediate used in the preparation of the xanthine oxidase inhibitor febuxostat, which is used in the treatment of hyperuricaemia and gout. It is also used in the synthesis of novel thiazolyl α-aminophosphonates.
[Chemical Properties]

Yellow or yellow powder
[Uses]

Ethyl 2-(3-Formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate(161798-01-2) is a product prepared via reaction 4-Hydroxybenzene-1-benzothiomide with ethyl-2-chloro acetoacetate. An antibacterial agent and antifungal activity against C.albicans.
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