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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2405024Generated: November 1, 2026

Acetonitrile → Trifluoroacetic acid

https://huagongshe.com/reaction/2405024

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 numberUS08802857B2
Source datasetuspto-grants-2014_08
ORD IDord-fcfd5b55474c4d43a596dce07a7595b5
Source noteuspto-grants-2014_08