ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
- Product Name
- ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
- CAS No.
- 161798-03-4
- Chemical Name
- ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
- Synonyms
- 2-(3-forMyl;Febuxostat-24;-4-isobutoxyphenyL;Febuxostat Impurity G;Febuxostat Impurity 2;Febuxostat Impurities2;Febuxostat Impurity Z18;Febuxostat Impurity Z2-2;Ethyl 2-(3-formyl-4-isobutoxyphenyl);Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiaz
- CBNumber
- CB11474517
- Molecular Formula
- C18H21NO4S
- Formula Weight
- 347.43
- MOL File
- 161798-03-4.mol
ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE Property
- 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)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
N-Bromosuccinimide Price
- Product number
- E702955
- Product name
- Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
- Packaging
- 2.5g
- Price
- $105
- Updated
- 2021/12/16
- Product number
- E702955
- Product name
- Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
- Packaging
- 10g
- Price
- $340
- Updated
- 2021/12/16
- Product number
- P000219191
- Product name
- Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
- Purity
- 98%
- Packaging
- 10g
- Price
- $341
- Updated
- 2021/12/16
- Product number
- 35350
- Product name
- Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
- Purity
- 95+%
- Packaging
- 5G
- Price
- $600
- Updated
- 2021/12/16
- Product number
- CHM0068817
- Product name
- ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $909.56
- Updated
- 2021/12/16
ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE Chemical Properties,Usage,Production
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.
Synthesis
Preparation of Compound of formula III)[0094] A compound of formula II (10.0 gr, 34.33 mmol) was reacted with iso- butyl bromide (18.9 gr, 137.3 mmol) in the presence of potassium carbonate (19.0 gr, 137.3 mmol) and potassium iodide (2.3 gr, 13.7 mmol) in 60 ml dimethylformamide. The reaction was performed at about 70°C during 4 hours. The reaction mixture was extracted at 70°C using 300 ml ethyl acetate and 600 ml water. The separated aqueous phase was washed twice with 100 ml ethyl acetate. The combined organic phase was washed twice with 100 ml water and then concentrated to dryness. The resulting solid residue was re- crystallized from 70 ml ethyl acetate, filtered and dried under reduced pressure at about 40°C to provide a compound of formula III (8.9 gr, yield - 83percent). The Compound of formula III purity is 99.1percent (by HPLC).
ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE manufacturers
- Product
- Febuxostat Impurity 161798-03-4
- Price
- US $0.00/Kg/Drum
- Min. Order
- 1KG
- Purity
- 99%min
- Supply Ability
- 1000kg
- Release date
- 2021-09-09
- Product
- 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylat 161798-03-4
- Price
- US $0.00-0.00/kg
- Min. Order
- 100kg
- Purity
- ≥98.5%
- Supply Ability
- 20 tons
- Release date
- 2024-07-30
- Product
- ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE 161798-03-4
- Price
- US $100.00-60.00/kilograms
- Min. Order
- 100kilograms
- Purity
- 99%
- Supply Ability
- 100tons
- Release date
- 2023-02-24