Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate , 98% , 161798-03-4

CAS NO.：161798-03-4

Empirical Formula: C18H21NO4S

Molecular Weight: 347.43

MDL number: MFCD13194811

EINECS: 700-743-7

PRODUCT Properties

• Melting point: 158-160°C
• Boiling point: 495.9±55.0 °C(Predicted)
• Density: 1.183
• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• solubility: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• form: Solid
• pka: 1.39±0.10(Predicted)
• color: Pale Yellow
• InChI: InChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H3
• InChIKey: AIQMFFCWDAIGNV-UHFFFAOYSA-N
• SMILES: S1C(C(OCC)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C=O)=C1
• CAS DataBase Reference: 161798-03-4(CAS DataBase Reference)

Description and Uses

Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate is an impurity of Febuxostat (F229000), which is a xanthine oxidase/xanthine dehydrogenase inhibitor, used for treatment of hyperuricemia and chronic gout.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P