ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
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- CAS-Nr.
- 161798-03-4
- Englisch Name:
- ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
- Synonyma:
- 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
- Summenformel:
- C18H21NO4S
- Molgewicht:
- 347.43
- MOL-Datei:
- 161798-03-4.mol
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ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE Eigenschaften
- Schmelzpunkt:
- 158-160°C
- Siedepunkt:
- 495.9±55.0 °C(Predicted)
- Dichte
- 1.183
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- L?slichkeit
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- Aggregatzustand
- Solid
- pka
- 1.39±0.10(Predicted)
- Farbe
- 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 Datenbank
- 161798-03-4(CAS DataBase Reference)
Sicherheit
- Risiko- und Sicherheitserkl?rung
- Gefahreninformationscode (GHS)
| Bildanzeige (GHS) |
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| Alarmwort |
Warnung |
| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H315 |
Verursacht Hautreizungen. |
Hautreizung |
Kategorie 2 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P280, P302+P352, P321,P332+P313, P362 |
| H319 |
Verursacht schwere Augenreizung. |
Schwere Augenreizung |
Kategorie 2 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P280, P305+P351+P338,P337+P313P |
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| Sicherheit |
| P264 |
Nach Gebrauch gründlich waschen. |
| P264 |
Nach Gebrauch gründlich waschen. |
| P280 |
Schutzhandschuhe/Schutzkleidung/Augenschutz tragen. |
| P302+P352 |
BEI BERüHRUNG MIT DER HAUT: Mit viel Wasser/... (Hersteller kann, falls zweckm??ig, ein Reinigungsmittel angeben oder, wenn Wasser eindeutig ungeeignet ist, ein alternatives Mittel empfehlen) waschen. |
| P305+P351+P338 |
BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach M?glichkeit entfernen. Weiter spülen. |
| P321 |
Besondere Behandlung |
| P332+P313 |
Bei Hautreizung: ?rztlichen Rat einholen/?rztliche Hilfe hinzuziehen. |
| P362 |
Kontaminierte Kleidung ausziehen und vor erneutem Tragen waschen. |
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ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
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.
Synthese
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 Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 337)Lieferanten
161798-03-4()Verwandte Suche:
- 2-(3-forMyl
- 5-Thiazolecarboxylicacid, 2-[3-forMyl-4-(2-Methylpropoxy)phenyl]-4-Methyl-, ethyl ester
- ethyl-2-[3-forMyl-4-(2-Methylpropoxy)phenyl]-4-Methyl-5-thiazolecarboxylate
- Febuxostat Impurity 2
- Febuxostat Impurity G
- 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
- Ethyl 2-(3-formyl-4-isobutoxyphenyl)
- ETHYL 2-(3-FORMYL-4-ISOBUTOXYPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
- 2-(3-Formyl-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester
- 5-carboxylato-1-ethyl-2-[3-forMyl-4-(2-Methylpropoxy)phenyl]-4-Methyl-1H-1$l^{4},3-thiazol-1-yl
- 2-(3-forMyl-4-isobutoxyphenyI)-4-MethyIthiazole-5-carboxylic acid ethyl ester
- Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-
- Ethyl-2-(3-Formyl-4-isobutoxy phenyl)-4-methyl-1,3-thiazole-5-carboxylate
- Febuxostat-24
- Febuxostat Impurity Z18
- Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiaz
- 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-Thiazolecarboxylicacid ethyl ester
- -4-isobutoxyphenyL
- Febuxostat intermediates，Ethyl 2-(3-Formyl-4-isobutoxyphenyl)- 4-Methylthiazole-5-Carboxylate
- Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate 2-
- Ethyl 2-(3-Formyl-4-isobutoxyphenyl)-4-Methylthiazole-5-Carb...
- Febuxostat Impurities2
- 2 - (3-aldehyde-4-isobutyloxyphenyl) - 4-methylthiazole-5-carboxylic acid ethyl ester
- Ethyl 2-(3- aldehyde -4- isobutyloxyphenyl) -4- methylthiazole -5- carboxylate
- 5-Thiazolecarboxylic acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester (9CI, ACI)
- 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-5-Thiazolecarboxylic acid ethyl ester (9CI ACI)
- Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate (F4)
- 2-(3-formyl-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylat
- Febuxostat Impurity Z2-2
- Febuxostat Impurity 2
ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5- carboxylate
- 161798-03-4
- 84006-10-6
- 1161798-03-4
- Febuxostat intermediate
- 161798-03-4
