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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 41300Generated: October 28, 2026

Trifluoroacetic acid → 3-Methyl-4-{[(3S)-3-methyl-1-piperazinyl]sulfonyl}benzonitrile

https://huagongshe.com/reaction/41300

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
Reactant1,1-dimethylethyl(2S)-4-[(4-cyano-2-methylphenyl)sulfonyl]-2-methyl-1-piperazinecarboxylateHCID 59152098—
SolventDichloromethaneHCID 6344—
Product3-Methyl-4-{[(3S)-3-methyl-1-piperazinyl]sulfonyl}benzonitrileHCID 59152067108%

Reaction Steps

A solution of 1,1-dimethylethyl (2S)-4-[(4-cyano-2-methylphenyl)sulfonyl]-2-methyl-1-piperazinecarboxylate (may be prepared as described in Description 10) (2.88 g, 7.59 mmol) and TFA (10 ml, 130 mmol) in dry DCM (10 ml) was stirred at room temperature for 1 hour, then concentrated in vacuo, azeotroping with toluene (25 ml) to give a brown oil. This was partitioned between DCM (50 ml) and saturated aqueous NaHCO3 (50 ml), then the aqueous layer was extracted with DCM (50 ml). The combined organic layers were passed through a hydrophobic frit and concentrated in vacuo to give the title compound as a yellow oil (2.29 g).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08530478B2
Source datasetuspto-grants-2013_09
ORD IDord-eb413f56360c43c1bc456f2b95571647
Source noteuspto-grants-2013_09