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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1889235Generated: October 31, 2026

Potassium Iodide → 1-(3-Iodo-1-isopropyl-1H-pyrazol-4-yl)ethanone

https://huagongshe.com/reaction/1889235

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPotassium IodideHCID 4875—
Reactantp-Toluenesulfonic acid monohydrateHCID 521998—
ReactantSodium NitriteHCID 23668193—
Reactant1-(3-amino-1-isopropyl-1H-pyrazol-4-yl)ethanoneHCID 51034229—
SolventWaterHCID 962—
SolventAcetonitrileHCID 6342—
Product1-(3-Iodo-1-isopropyl-1H-pyrazol-4-yl)ethanoneHCID 51034230—

Reaction Steps

To a solution of Intermediate 1-(3-amino-1-isopropyl-1H-pyrazol-4-yl)ethanone (3.97 g, 24 mmol) and p-TsOH.H2O (9.07 g, 48 mmole, 2 eq) in 150 ml of acetonitrile at 0° C. was added dropwise a solution of sodium nitrite (2.97 g, 43 mmole, 1.8 eq) and potassium iodide (8.0 g, 48 mmol, 2.0 eq) in 20 ml water. The mixture was stirred at this temperature for 10 minutes and then allowed to warm to rt and stirred for 3 h. The mixture was concentrated and then diluted with water and neutralized with aqueous sodium carbonate solution to pH 9 to 10. The mixture was extracted with ethyl acetate (3×). The combined organic layers were washed with sodium thiosulfate solution, dried over sodium sulfate, filtered, and concentrated. The residue was purified by silica gel column chromatography (1:1 hexanes/ethyl acetate eluant) to provide the title compound as a light brown solid. 1H NMR (400 MHz, DMSO-d6) δ 8.51 (s, 1H), 4.53 (m, 1H), 2.37 (s, 3H), 1.41 (d, J=7 Hz, 6H); MS m/z 279.1 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08501758B2
Source datasetuspto-grants-2013_08
ORD IDord-bfea7a232503405e9004c4d6787a7f1d
Source noteuspto-grants-2013_08