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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 570844Generated: October 30, 2026

Water → HCID 68504709, compound

https://huagongshe.com/reaction/570844

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantBoron tribromideHCID 25134—
ReactantHCID 59477914HCID 59477914—
SolventDichloromethaneHCID 6344—
ProductHCID 68504709HCID 6850470967.7%

Reaction Steps

To a solution of 4-(3-cyano-4-methoxypyrrole-1-yl)benzoic acid ethyl ester (0.081 g) in dichloromethane (3 mL) was added boron tribromide (0.33 mL, 1 mol/L dichloromethane solution) under ice-cooling, and this mixture was stirred at same temperature for 2 hours. To this reaction mixture was added water, and this mixture was extracted with diethyl ether. This organic layer was washed with brine, dried over anhydrous magnesium sulfate. The solvent was removed under reduced pressure. The residue was purified by column chromatography on silica gel (eluent: ethyl acetate/n-hexane=1/1) to give 4-(3-cyano-4-hydroxypyrrole-1-yl)benzoic acid ethyl ester (0.052 g). To a solution of 4-(3-cyano-4-hydroxypyrrole-1-yl)benzoic acid ethyl ester (0.052 g) in N,N-dimethylformamide (4 mL) were added benzylbromide (0.038 g) and cesium carbonate (0.13 g) at room temperature, and this mixture was stirred at 80° C. for 5 hours. To this reaction mixture was added water at room temperature, and the precipitated solid was collected by filtration, and washed with methanol (5 mL) to give the title compound (0.016 g).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09023882B2
Source datasetuspto-grants-2015_05
ORD IDord-f5a6816c7c994ffdbce3e95ba934abe0
Source noteuspto-grants-2015_05