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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 572553Generated: October 31, 2026

Water → HCID 66652808, compound

https://huagongshe.com/reaction/572553

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium BicarbonateHCID 516892—
Reactant4-(Bromomethyl)-3-fluorobenzonitrileHCID 2783149—
ReactantTert-butyl 2-amino-3-methylbutanoateHCID 4532027—
SolventDimethylformamideHCID 6228—
ProductHCID 66652808HCID 66652808—

Reaction Steps

To a stirred solution of tert-butyl 2-amino-3-methylbutanoate (8.5 g, 0.05 mol) in dry DMF (50 mL) under nitrogen, was added 4-cyano-2-fluoro-benzyl bromide (FluoroChem Ltd, 9.4 g, 0.044 mol) and NaHCO3 (10.2 g, 0.12 mol). The resulting mixture was stirred at RT for 16 h. Water (70 mL) was added and the desired product was extracted with ethyl acetate (2×100 mL). The organic layer was washed with water (3×100 mL) and the solvent was dried over Na2SO4 and concentrated under vacuum. The resulted residue was purified by column chromatography using petroleum ether/ethyl acetate as eluent, affording of the title compound as colorless liquid. 1H NMR (DMSO-d6, 400 MHz) δ 7.77 (d, J=10.2 Hz, 1H), 7.67 (t, J=1.5 Hz, 1H), 3.85-3.79 (m, 2H), 2.72 (m, 1H), 2.49 (m, 1H), 1.81 (m, 1H), 1.37 (s, 9H), 0.86 (m, 6H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09029405B2
Source datasetuspto-grants-2015_05
ORD IDord-e80e0e9fc91740e9b8e0190d2e13c5e1
Source noteuspto-grants-2015_05