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

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate Structure
CAS No.
160844-75-7
Chemical Name:
Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
Synonyms
2-[3-cyano-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-Thiazolecarboxylic acid ethyl ester;Febuxostat Ethyl Ester;Febuxostat-7;FEBUXOSTAT INT N-1;Non-Bust Impurity 23;Febuxostat Impurities3;ethyl ester of febuxostat;Febuxostat Ethyl Ester Impurity;ethyl 2-(3-cyano-4-isobutoxyphenyl);2-[3-cyano-4-(2-Methylpropoxy)phenyl]-4-Me
CBNumber:
CB22129451
Molecular Formula:
C18H20N2O3S
Molecular Weight:
344.43
MOL File:
160844-75-7.mol
Modify Date:
2024/7/16 18:25:32

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

Melting point 176 °C
Boiling point 497.1±55.0 °C(Predicted)
Density 1.22
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly, Heated), Methanol (Very Slightly, Heated)
form Solid
pka 1.02±0.10(Predicted)
color White to Off-White
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
InChIKey OGAZOYHQFBSRMC-UHFFFAOYSA-N
SMILES S1C(C(OCC)=O)=C(C)N=C1C1=CC=C(OCC(C)C)C(C#N)=C1
CAS DataBase Reference 160844-75-7(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code  2934.10.2000
NFPA 704
0
2 0

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

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) E1414 Ethyl 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate 160844-75-7 5G ₹3200 2022-05-26 Buy
TCI Chemicals (India) E1414 Ethyl 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate 160844-75-7 25G ₹12000 2022-05-26 Buy
Product number Packaging Price Buy
E1414 5G ₹3200 Buy
E1414 25G ₹12000 Buy

Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate Chemical Properties,Uses,Production

Chemical Properties

White crystalline powder

Uses

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.

Synthesis

CarboxylatePotassium carbonate (300 g, 2.17 mol) and isobutyl bromide (142.7 g, 1.041 mol) were added to a solution of ethyl-2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazole carboxylate (100 g, 0.347 mol) in dimethylformamide (300 mL), and the reaction mixture was heated at a temperature of about 75°C for about 8 hours. After completion of the reaction, the reaction mixture was cooled to about 40°C, and water was added. The reaction mixture was further cooled to about 0°C and stirred for about 1 hour. The solid thus obtained was filtered, washed with water, and dried to give Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate. (Yield: 11 lg, 92.9%) Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

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5-Thiazolecarboxylicacid, 2-[3-cyano-4-(2-Methylpropoxy)phenyl]-4-Methyl-, ethyl ester 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate Ethyl> 2-(3-cyano-4-isobutoxyphenyl)-4-Methyl-5-th 5-carboxylato-2-[3-cyano-4-(2-Methylpropoxy)phenyl]-1-ethyl-4-Methyl-1H-1$l^{4},3-thiazol-1-yl ethyl ester of febuxostat 2-[3-cyano-4-(2-Methylpropoxy)phenyl]-4-Me Febuxostat Ethyl Ester Impurity Febuxostat Impurity 15/Febuxostat Ethyl Ester/Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazol Febuxostat-7 2[3-Cyano-4-(2-methyl propoxy)phenyl]4-methyl-5-thiazole carboxylic acid ethyl ester (CPT) ethyl 2-(3-cyano-4-isobutoxyphenyl) Non-Bust Impurity 23 2-(3-Cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester FEBUXOSTAT INT N-1 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYL-5-THIAZOLECARBOXYLIC ACID ETHYL Febuxostat intermediates,Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4- methyl-5-thiazolecarboxylate 2-(4-isobutoxyphenyl)-3-carboxylate)4-methyl-1,3- thiazole-5- carboxylate acid( Febuxostat dicarboxylic acid impurity) Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarbo... Febuxostat Impurities3 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazol-5-carboxylic acid ethyl esterQ: What is 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazol-5-carboxylic acid ethyl ester Q: What is the CAS Number of 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazol-5-carboxylic acid ethyl ester Q: What is the storage condition of 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazol-5-carboxylic acid ethyl ester Febuxostat Ethyl Ester 2-[3-cyano-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-Thiazolecarboxylic acid ethyl ester Ethyl 2-(3- cyano -4- isobutyloxyphenyl) -4- methylthiazole -5- carboxylate Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate Ethyl 2-(3-cyno-4-isobutoxyphenyl)-4-methyl-5- thiazolecarboxylate 2-(4-ISOBUTOXYPHENYL)-3-CARBOXYLATE)4-METHYL-1,3- THIAZOLE-5- Febuxostat Ethyl Ester Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methylthiazole-5- carboxylate 160844-75-7 161797-01-2 Febuxostat Intermediates Febuxostat intermediate