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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2183862Generated: November 2, 2026

2-Bromobenzonitrile → 2'-Fluoro-5'-nitrobiphenyl-2-carbonitrile

https://huagongshe.com/reaction/2183862

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-BromobenzonitrileHCID 16272—
ReactantTris(1,1-dimethylethyl)phosphineHCID 83681—
ReactantPotassium FluorideHCID 522689—
Reactant2-Fluoro-5-nitrophenylboronic acid, pinacol esterHCID 3833297—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
Solvent1,4-DioxaneHCID 31275—
Product2'-Fluoro-5'-nitrobiphenyl-2-carbonitrileHCID 11447861100%

Reaction Steps

A mixture of 2-bromobenzonitrile (34.6 g, 190 mmol), 2-(2-fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (76.1 g, 285 mmol) and potassium fluoride (36.4 g, 627 mmol) in tetrahydrofuran (600 ml) was degassed with nitrogen for 30 min then treated with tris(dibenzylideneacetone)dipalladium(0) (1.74 g, 1.9 mmol) followed by tri-tert-butylphosphine (38 ml of a 0.1M solution in 1,4-dioxane, 3.8 mmol) and then the reaction was stirred at ambient temperature for 30 min before heating at 50° C. for 1 h to complete the coupling. The slurry-like reaction mixture was then diluted with water (3 l) and stirred at ambient temperature for 90 min. The resulting solid was collected by filtration, washed with water then with isohexane and finally dried under vacuum over phosphorus pentoxide to afford 2′-fluoro-5′-nitrobiphenyl-2-carbonitrile as a beige solid (46 g, 100%): δH (360 MHz, CDCl3) 7.37-7.42 (1H, m), 7.53 (1H, d, J 8), 7.59 (1H, td, J 8 and 1), 7.75 (1H, td, J 8 and 1), 7.83 (1H, dd, J 8 and 1), 8.35-8.39 (2H, m).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06900215B2
Source datasetuspto-grants-2005_05
ORD IDord-0ed8c5e72ba244f98584a3c8fa2fcd2c
Source noteuspto-grants-2005_05