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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2063966Generated: November 2, 2026

Cesium carbonate → 4-Cyclopropyl-2-fluoro-1-nitrobenzene

https://huagongshe.com/reaction/2063966

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCesium carbonateHCID 10796—
ReactantCyclopropylboronic acidHCID 2760897—
Reactant3-Fluoro-4-nitrophenyl trifluoromethanesulfonateHCID 21998735—
SolventTolueneHCID 1140—
Product4-Cyclopropyl-2-fluoro-1-nitrobenzeneHCID 5742391481.1%

Reaction Conditions

Temperature90 °C

Reaction Steps

A stirred suspension of trifluoro-methanesulfonic acid 3-fluoro-4-nitro-phenyl ester (5.6 g, 19 mmol), cyclopropyl boronic acid (2.09 g, 23.3 mmol) Pd(dppf)Cl2 (1.24 g, 1.5 mmol) and 2M aqueous cesium carbonate (30 mL, 60 mmol) in toluene (20 mL) was degassed before being heated at 90° C. under an argon atmosphere for 2.5 hours. The reaction mixture was allowed to cool to room temperature before filtering through a pad of Celite®, washing with ethyl acetate. The filtrate was washed (water, brine), and then dried (MgSO4), filtered and concentrated in vacuo. The resultant residue was subjected to flash chromatography (Si-PPC, gradient 0-30% ethyl acetate in pentane) to give the title compound as a yellow solid (2.79 g, 81%). 1H NMR (DMSO-d6, 400 MHz) 8.03 (1 H, t, J=8.39 Hz), 7.28 (1 H, dd, J=13.19, 1.91 Hz), 7.16 (1 H, dd, J=8.61, 1.90 Hz), 2.14-2.05 (1 H, m), 1.21-1.05 (2 H, m), 0.92-0.82 (2 H, m).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08288408B2
Source datasetuspto-grants-2012_10
ORD IDord-05dc4d321d5b4c3fbe14ce2378763ab6
Source noteuspto-grants-2012_10