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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 871519Generated: October 30, 2026

Hydrochloric Acid → 5-(1,3-Difluoro-2-methylpropan-2-yl)isoxazol-3-amine

https://huagongshe.com/reaction/871519

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantHydroxylamine, sulfate (1:1)HCID 159255—
ReactantSodium BicarbonateHCID 516892—
Reactant5-Fluoro-4-(fluoromethyl)-4-methyl-3-oxopentanenitrileHCID 86653518—
SolventMethanolHCID 887—
SolventWaterHCID 962—
Product5-(1,3-Difluoro-2-methylpropan-2-yl)isoxazol-3-amineHCID 6687740455%

Reaction Conditions

Temperature60 °C

Reaction Steps

To a mixture of hydroxylamine sulfate (0.59 g, 3.6 mmol) and NaHCO3 (0.700 g, 8.3 mmol) in MeOH (1 mL) and water (10 mL) was added 5-fluoro-4-(fluoromethyl)-4-methyl-3-oxopentanenitrile (0.483 g, 3 mmol). After heated at 60° C. for 8 hours, to it was added 10% HCl until pH 1. It was heated at 60° C. for 3 hours, basified with saturated NaHCO3, and extracted with CH2Cl2. Extracts were dried over MgSO4 and concentrated under reduced pressure to afford 5-(1,3-difluoro-2-methylpropan-2-yl)isoxazol-3-amine as needles (0.289 g, 55%). 1H NMR (300 MHz, CDCl3) δ 5.76 (s, 1H), 4.59 (q, 2H), 4.50 (q and br, 4H), 1.37 (s, 3H); LC-MS (ESI) m/z 177 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08969587B2
Source datasetuspto-grants-2015_03
ORD IDord-922087a3fc3d41bdad2f8b67354816c9
Source noteuspto-grants-2015_03