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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2404065Generated: October 30, 2026

Trifluoroacetic acid → HCID 86713599, compound

https://huagongshe.com/reaction/2404065

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantN-(tert-Butoxycarbonyl)-1,2-phenylenediamineHCID 676311—
ReactantHCID 79631890HCID 79631890—
ReactantHCID 86713598HCID 86713598—
SolventDichloromethaneHCID 6344—
SolventEthyl AcetateHCID 8857—
Solvent1,4-DioxaneHCID 31275—
ProductHCID 86713599HCID 8671359923.1%

Reaction Steps

To a solution of tert-butyl 4-(2,5-dichloropyrimidin-4-yl)piperazine-1-carboxylate (0.1 g, 0.3 mmol) in DCM (1.0 mL) was added TFA (1.0 mL) and the mixture was stirred for 1 h. An aliquot of the reaction mixture was analyzed by LCMS, which indicated that the reaction had proceeded to completion. The solvents were removed and the residue was dried on high vacuum. The crude product was used for the next step without further purification. To a solution of 2,5-dichloro-4-(piperazin-1-yl)pyrimidine (0.3 mmol) in Dioxane (4.0 mL) was added TFA (0.060 mL, 0.75 mmol) and tert-butyl(2-aminophenyl)carbamate (0.094 g, 0.45 mmol) and the mixture was stirred at 100° C. for 24 h. reaction. After cooling to room temperature the reaction mixture was diluted with EtOAc and washed with aqueous saturated sodium bicarbonate solution. The organic mixture was dried over sodium sulfate and loaded onto silica gel and purified using 0-10% MeOH/DCM gradient containing 10% NH4OH to give the title compound (28 mg, 23%) as a white solid. MS (ES+) C19H25ClN6O2 requires: 404. found: 405 [M+H]+

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08802697B2
Source datasetuspto-grants-2014_08
ORD IDord-620eb353c2b24df4a9ec4e939a8027be
Source noteuspto-grants-2014_08