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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2201122Generated: October 29, 2026

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

https://huagongshe.com/reaction/2201122

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantHydrogen PeroxideHCID 784—
ReactantSodium HydroxideHCID 14798—
Reactant2-(4-Cyano-2-fluoro-5-(3-methylisothiazol-5-ylamino)phenylamino)-4,4,4-trifluorobutanamideHCID 67508281—
SolventDimethyl SulfoxideHCID 679—
SolventEthanolHCID 702—
Product4-(1-Amino-4,4,4-trifluoro-1-oxobutan-2-ylamino)-5-fluoro-2-(3-methylisothiazol-5-ylamino)benzamideHCID 67516059—

Reaction Steps

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.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09359375B2
Source datasetuspto-grants-2016_06
ORD IDord-56a4efeccf1c496bb1e1d8a3876dab81
Source noteuspto-grants-2016_06