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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 502701Generated: November 2, 2026

Toluene → 1-Methyl-4-(3-nitro-5-(trifluoromethyl)phenyl)piperazine

https://huagongshe.com/reaction/502701

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
Reactant1-MethylpiperazineHCID 53167—
Reactant3-Iodo-5-nitrobenzotrifluorideHCID 10852927—
ReactantSodium t-butoxideHCID 23676156—
Catalyst(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladiumHCID 6505921—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
Product1-Methyl-4-(3-nitro-5-(trifluoromethyl)phenyl)piperazineHCID 59428037—

Reaction Conditions

Temperature80 °C

Reaction Steps

Into a 50 mL round bottom flask was placed the 1-iodo-3-nitro-5-(trifluoromethyl)benzene (1 g, 3.15 mmol), N-methylpiperazine (0.379 g, 3.78 mmol), bis(dibenzylideneacetone)palladium (0.029 g, 0.0315 mmol), sodium tert-butoxide (0.424 g, 4.416 mmol), 2-dicyclohexyl-2′-(N,N-dimethylamino)biphenyl (0.037 g, 0.094 mmol), and toluene (25 mL). Reaction was heated to 80° C. with stirring for 20 hours. Reaction was cooled to room temperature and water (1 mL) and ethyl acetate (10 mL) were added. The organic layer is separated, concentrated under reduced pressure and purified via silica column eluting with 0 to 20% methanol in dichloromethane. The title compound was obtained as an orange oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07776869B2
Source datasetuspto-grants-2010_08
ORD IDord-b2eb7fa5ef4f49e2acb762ffdd6afeee
Source noteuspto-grants-2010_08