Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate
![Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate Structure](CAS/GIF/160844-75-7.gif)
- 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
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 |
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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 |
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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 |
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 Preparation Products And Raw materials
Raw materials
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Supplier | Advantage |
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MAISURIYA PHARMA SOLUTIONS | 58 |
Vihita Chem Private Limited | 58 |
Siddhivinayakchemicals | 58 |
Credas Labs Pvt Ltd | 58 |
SynThink RESEARCH CHEMICALS | 58 |
KARPSCHEM LABORATORIES | 58 |
Varanous Labs Pvt Ltd | 58 |
Sam Fine O Chem Limited | 58 |
Everest Organics Limited | 58 |
Chempifine Chemicals | 58 |
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