CAS 160844-75-7

Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate

Description:

Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate, with CAS number 160844-75-7, is a synthetic organic compound characterized by its complex structure, which includes a thiazole ring, a cyano group, and an ethyl ester functional group. This compound typically exhibits properties associated with both thiazole derivatives and aromatic compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of the cyano group. The thiazole moiety may contribute to biological activity, making it of interest in pharmaceutical research. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the presence of the 2-methylpropoxy group may influence its lipophilicity and overall pharmacokinetic properties. As with many organic compounds, safety data and handling precautions should be considered, as the specific toxicity and environmental impact of this compound would need to be evaluated through empirical studies.

Formula: C₁₈H₂₀N₂O₃S

InChI: InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3

InChI key: InChIKey=OGAZOYHQFBSRMC-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1SC(=NC1C)C2=CC(C#N)=C(OCC(C)C)C=C2

Synonyms:

• 2-(3-Cyano-4-Isobutoxyphenyl)-4-Methylthiazole-5-Carboxylic Acid Ethyl Ester
• 2-[3-Cyano-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-Thiazole Carboxylic Acid Ethyl Ester
• 5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester
• Ethyl 2-(3-Cyano-4-IsobutoxyPhenyl)-4-MethylThiazole-5-Carboxylate
• Ethyl 2-[3-Cyano-4-(2-Methylpropoxy)Phenyl]-4-Methyl-1,3-Thiazole-5-Carboxylate
• Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-Thiazolecarboxylate
• Febuxostat N-5
• Febuxostat intermediates-2
• Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

5-Thiazolecarboxylic acid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester

CAS: 160844-75-7

Formula: C₁₈H₂₀N₂O₃S

Purity: 97%

Color and Shape: Solid

Molecular weight: 344.4280

Ref: IN-DA001VEX

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

CAS: 160844-75-7

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

Purity: 98%

Molecular weight: 344.43g/mol

Ref: 54-OR96123

Febuxostat Impurity 3

CAS: 160844-75-7

Formula: C₁₈H₂₀N₂O₃S

Color and Shape: Off-White Solid

Molecular weight: 344.43

Ref: 4Z-F-3912

Ethyl 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

CAS: 160844-75-7

Formula: C₁₈H₂₀N₂O₃S

Purity: >98.0%(HPLC)(N)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 344.43

Ref: 3B-E1414

Febuxostat Ethyl Ester (2-[3-Cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester)

CAS: 160844-75-7

Color and Shape: Neat

Ref: 86-MM3552.02

Ethyl 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

CAS: 160844-75-7

Applications Ethyl 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate is an impurity of Febuxostat (F229000), a xanthine oxidase/xanthine dehydrogenase inhibitor. Used for treatment of hyperuricemia and chronic gout. 40-120 mg/day febuxostat was proven effective in lowering serum urate levels when administered to manage hyperuricemia in patients with gout.
References Vallu, V., et. al.: Anal. Chem. Indian J., 14, 339 (2014); Osada, Y., et al.: Eur. J. Pharmacol., 241, 183 (1993); Okamoto, K., et al.: J. Biol. Chem., 278, 1848 (2003); Mayer, M.D., et al.: Am. J. Therap., 12, 22 (2005); Tomlinson, B., et al.: Curr. Opin. Invest. Drugs, 6, 1168 (2005)

Formula: C₁₈H₂₀N₂O₃S

Color and Shape: Neat

Molecular weight: 344.43

Ref: TR-E907780

Febuxostat Ethyl ester impurity

CAS: 160844-75-7

Formula: C₁₈H₂₀N₂O₃S

Molecular weight: 344.43

Ref: ST-EA-CP-F7011

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

CAS: 160844-75-7

Formula: C₁₈H₂₀N₂O₃S

Purity: ≥98%

Color and Shape: Liquid, No data available.

Molecular weight: 344.43

Ref: 10-F213564

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

CAS: 160844-75-7

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate (ECIT) is a derivative of formyl that has been used as a solvent for industrial and laboratory purposes. ECIT is an amorphous substance with the chemical formula CH3COC6H2CH2COCH=N(C=O)C6H4CN. The compound has been quantified in various solvents, such as n-butyl alcohol and acetonitrile. ECIT is a colorless liquid that boils at 140° C. It has a formyl group and an alkynyl group, which are both reactive groups that can be used to synthesize other compounds. ECIT also contains two stereoisomers: the erythro isomer and the threo isomer. The erythro isomer has the structural formula of CH3COC6H2CH

Purity: Min. 95%

Ref: 3D-FE45493