Acetic Acid → 4-(1-Amino-4,4,4-trifluoro-1-oxobutan-2-ylamino)-5-fluoro-2-(3-methylisothiazol-5-ylamino)benzamide

HRID 84890Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 84890
[C:1]([C:3]1[C:8]([NH:9][C:10]2[S:14][N:13]=[C:12]([CH3:15])[CH:11]=2)=[CH:7][C:6]([NH:16][CH:17]([CH2:21][C:22]([F:25])([F:24])[F:23])[C:18]([NH2:20])=[O:19])=[C:5]([F:26])[CH:4]=1)#[N:2].[OH-].[Na+].OO.CC(O)=[O:33]>CCO.CS(C)=O>[NH2:20][C:18](=[O:19])[CH:17]([NH:16][C:6]1[C:5]([F:26])=[CH:4][C:3]([C:1]([NH2:2])=[O:33])=[C:8]([NH:9][C:10]2[S:14][N:13]=[C:12]([CH3:15])[CH:11]=2)[CH:7]=1)[CH2:21][C:22]([F:23])([F:25])[F:24]

Komponenten

7

Edukt 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 14798Sodium HydroxideHCID 675082812-(4-Cyano-2-fluoro-5-(3-methylisothiazol-5-ylamino)phenylamino)-4,4,4-trifluorobutanamide

Produkt 1

HCID 675160594-(1-Amino-4,4,4-trifluoro-1-oxobutan-2-ylamino)-5-fluoro-2-(3-methylisothiazol-5-ylamino)benzamide

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 679Dimethyl SulfoxideLösungsmittelHCID 702EthanolLösungsmittel

Versuchsvorschrift

To a solution of 2-(4-cyano-2-fluoro-5-(3-methylisothiazol-5-ylamino)phenylamino)-4,4,4-trifluorobutanamide (98 mg, 0.250 mmol) in EtOH (2 mL) and DMSO (1 mL), aq. 1N NaOH (1 mL, 1.0 mmol) and aq. H2O2 (50%, 1 mL) were added. The mixture was stirred at room temperature for 30 min. HOAc (1 mL) was added. The mixture was purified by HPLC to give the titled compound (28 mg). MS 406.1 (M+H); UV 204.7, 287.8 nm.

Aufarbeitung

  1. customThe mixture was purified by HPLC

Quellen und Nachweise

ORD-Eintrag
ord-0f51fc6e9f0b4c0ebe1461811010de39
Quelldatensatz
uspto-grants-2014_09
Patentnummer
US08846928B2

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