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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 83881Generated: October 31, 2026

3-(3-Bromo-4-fluorophenyl)-3-methylbutan-2-one → 2-Fluoro-5-(2-methyl-3-oxobutan-2-yl)benzonitrile

https://huagongshe.com/reaction/83881

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3-(3-Bromo-4-fluorophenyl)-3-methylbutan-2-oneHCID 66740799—
ReactantHCID 178418546HCID 178418546—
SolventEthyl AcetateHCID 8857—
SolventN-methyl-2-pyrrolidoneHCID 13387—
Product2-Fluoro-5-(2-methyl-3-oxobutan-2-yl)benzonitrileHCID 6674093169.2%

Reaction Conditions

Temperature160 °C

Reaction Steps

To a solution of 3-(3-bromo-4-fluorophenyl)-3-methylbutan-2-one (13 g, 50 mmol) in NMP (100 mL) was added CuCN (17.9 g, 200 mmol, 4 eq). The mixture was heated 24 h at 160° C. After cooling, the reaction was diluted with EtOAc, washed with 2N HCl (200 mL), satd NaHCO3 (200 mL) and brine (200 mL) successively, dried over MgSO4 and evaporated in vacuo. The residue was purified by column chromatography (Hex/EtOAc=4:1) to give 2-fluoro-5-(2-methyl-3-oxobutan-2-yl)benzonitrile (7.1 g, 69%). 1H NMR (400 MHz, CDCl3) δ 7.56-7.54 (m, 1H), 7.49-7.45 (m, 1H), 7.20 (t, J=8.4 Hz, 1H), 1.96 (s, 3H), 1.50 (s, 6H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08846739B2
Source datasetuspto-grants-2014_09
ORD IDord-e8257d92fcc943efac6eb49b41722f28
Source noteuspto-grants-2014_09