Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 887691Generated: October 31, 2026

Acetonitrile → Trifluoroacetic acid

https://huagongshe.com/reaction/887691

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantTrifluoroacetic acidHCID 6422—
ReactantPotassium CarbonateHCID 11430—
Reactant2,4,6-TrifluorophenolHCID 519974—
Reactant4-[2-(Toluene-4-sulfonyloxymethyl)phenyl]piperidine-1-carboxylic acid t-butyl esterHCID 46212988—
SolventAcetic acid--water (1/1)HCID 21899381—
ProductTrifluoroacetic acidHCID 6422242.6%
ProductAmpreloxetineHCID 46189893—

Reaction Conditions

Temperature50 °C

Reaction Steps

4-[2-(Toluene-4-sulfonyloxymethyl)phenyl]piperidine-1-carboxylic acid t-butyl ester (2.1 g, 4.7 mmol, 1.0 eq.) was dissolved in MeCN (46 mL, 890 mmol) and added to K2CO3 (1.9 g, 14 mmol, 3.0 eq.) and 2,4,6-trifluorophenol (1.0 g, 7.0 mmol, 1.5 eq.). The mixture was shaken at 50° C. overnight, then cooled to room temperature. The supernatant was separated from the K2CO3 and other solids. TFA (7 mL, 90 mmol, 20.0 eq.) was added to the supernatant and the mixture was shaken overnight at room temperature. The solution was then concentrated to yield a crude residue. The residue was dissolved in 5.0 mL 1:1 AcOH/H2O, then in an additional 2.0 mL AcOH, filtered and purified by preparative HPLC to yield the title compound as a TFA salt (1.3 g, 97.5% purity). MS m/z: [M+H]+ calcd for C18H18F3NO, 322.13. found 322.2.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08247433B2
Source datasetuspto-grants-2012_08
ORD IDord-6251d9b948084d2f89ff79932a57a2da
Source noteuspto-grants-2012_08