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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2040531Generated: November 1, 2026

Water → 3-Bromo-4-(trifluoromethoxy)benzoic acid

https://huagongshe.com/reaction/2040531

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantBromineHCID 24408—
Reactant4-(Trifluoromethoxy)benzoic acidHCID 67613—
CatalystIron chloride (FeCl3)HCID 24380—
SolventNitromethaneHCID 6375—
Product3-Bromo-4-(trifluoromethoxy)benzoic acidHCID 2027409154.3%

Reaction Conditions

Temperature110 °C

Reaction Steps

4-(Trifluoromethoxy)benzoic acid (2 g, 9.70 mmol) and iron(III) chloride (1.574 g, 9.70 mmol) were suspended in nitromethane (20 mL). To this mixture was added bromine (0.497 mL, 9.70 mmol) at 0° C. The solution was heated under microwave irradiation at 110° C. for 2 h. The reaction mixture was added to cold water (100 mL) and extracted with ethylacetate (2×100 mL). The organic phase was washed with an aqueous solution of sodium thiosulfate pentahydrate and brine. The organic layer was concentrated and the residue was purified by HPLC to give the title compound as a white solid (1.5 g). LCMS m/z=287.0 [M+H]+; 1H NMR (400 MHz, DMSO-d6) δ ppm 7.67 (d, 1H), 8.06 (d, 1H), 8.29 (s, 1H), 13.47 (s, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08580841B2
Source datasetuspto-grants-2013_11
ORD IDord-912725ab229247448828ea2a3f926a2c
Source noteuspto-grants-2013_11