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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1374260Generated: November 2, 2026

Toluene → 5-Phenylnicotinic Acid

https://huagongshe.com/reaction/1374260

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantSodium CarbonateHCID 10340—
ReactantPhenylboronic AcidHCID 66827—
Reactant5-Bromonicotinic acidHCID 88707—
CatalystHCID 178418397HCID 178418397—
SolventEthanolHCID 702—
SolventWaterHCID 962—
Product5-Phenylnicotinic AcidHCID 34616067.2%

Reaction Steps

Preparation H2, Step 1: 5-bromonicotinic acid (500 mg, 2.48 mmol, 1 eq.), phenylboronic acid (454 mg, 3.71 mmol, 1.5 eq.), tetrakis(triphenylphosphine)palladium(0) (143 mg, 0.124 mmol, 0.05 eq.), and sodium carbonate (787 mg, 7.43 mmol, 3 eq.) were mixed in ethanol (5 mL), toluene (25 mL), and water (5 mL) at room temperature under nitrogen. The reaction was then refluxed for 20 hours. Worked up by adding water then stripping off the ethanol. Rinsed the aqueous layer 2 times with diethyl ether. Adjusted the aqueous layer pH=3 with conc. HCl. The acidic aqueous layer was extracted 3 times with ethyl acetate and a little THF. The ethyl acetate/THF layers were combined, dried over sodium sulfate and stripped to give 5-phenylnicotinic acid (332 mg) as a white solid. Yield=67%. LCMS detects (M+H)+=198.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07163937B2
Source datasetuspto-grants-2007_01
ORD IDord-aa9f52622d284d0ba9b0e97d06dffd4c
Source noteuspto-grants-2007_01