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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1889227Generated: October 31, 2026

p-Toluenesulfonic acid → 2-(2-(Methylthio)pyrimidin-4-yl)acetonitrile

https://huagongshe.com/reaction/1889227

Reaction equation

Participants

RoleNameHCIDCharge
Reactantp-Toluenesulfonic acidHCID 6101—
ReactantCyano-(2-methylthio-pyrimidin-4-yl)-acetic acid tert-butyl esterHCID 51034226—
SolventTolueneHCID 1140—
Product2-(2-(Methylthio)pyrimidin-4-yl)acetonitrileHCID 67199798—

Reaction Steps

To a solution of Intermediate cyano-(2-methylthio-pyrimidin-4-yl)-acetic acid tert-butyl ester (5.3 g, 20 mmol) in anhydrous toluene (100 mL) was added p-toluenesulfonic acid (800 mg). The mixture was heated to reflux for 8 h, cooled to room temperature and extracted with ethyl acetate. The organic layer was washed with 1N aqueous sodium hydroxide solution and brine, dried over sodium sulfate, filtered and concentrated. The crude product was purified by silica gel chromatography (3:1 hexanes/ethyl acetate eluant) to afford the title compound: 1H NMR 400 MHz (CDCl3) δ 8.56 (d, 1H), 7.12 (d, 1H), 3.84 (s, 2H), 2.57 (s, 3H); MS m/z: 166.0 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08501758B2
Source datasetuspto-grants-2013_08
ORD IDord-e052bdb625004a189e549896536fde1f
Source noteuspto-grants-2013_08