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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2422020Generated: October 30, 2026

Water → 3-{4-[(2-Isopropyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]piperidin-1-yl}propanenitrile

https://huagongshe.com/reaction/2422020

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantN-(2-cyanoethyl)-4-aminopiperidineHCID 22562162—
Reactant4-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxideHCID 67243160—
SolventDimethylformamideHCID 6228—
Product3-{4-[(2-Isopropyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]piperidin-1-yl}propanenitrileHCID 1158945889%

Reaction Steps

A solution of 4-chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide (0.200 g, 0.700 mmol), TEA (0.283 g, 2.800 mmol) and 3-(4-aminopiperidin-1-yl)propanenitrile (0.161 g, 1.050 mmol) in DMF (3 mL) was heated in a microwave reactor at 120° C. for 10 mins. Water was added and the mixture was extracted with EtOAc. The organic phase was evaporated and the residue was purified by silica gel column chromatography (Horizons Biotage) using a mixture of heptane and EtOAc (20:80) to 100% EtOAc, then a mixture of MeOH and EtOAc (1:99) as eluant, to give the title compound (0.25 g, 89%); 1H NMR (500 MHz, CDCl3): δ 7.54-7.51 (m, 2H), 7.49-7.44 (m, 3H), 5.20 (br d 1H), 4.46-4.38 (m, 1H), 3.01-2.91 (br m, 1H), 2.70-2.65 (br m, 2H), 2.55 (t, 2H), 2.41 (t 2H), 1.74-1.63 (m 4H), 1.60 (d 6H) 1.44-1.35 (m 2H); 13C NMR (125 MHz, CDCl3): δ 158.7, 134.5, 131.8, 130.1, 128.9, 125.3, 118.8, 106.8, 53.3, 51.5, 50.0, 47.8, 32.4, 20.4, 16.4: Mass Spectrum: M−H+ 403.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07960380B2
Source datasetuspto-grants-2011_06
ORD IDord-e6293bcfe26547e2b7649b90268e95f6
Source noteuspto-grants-2011_06