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
Participants
| Role | Name | HCID | Charge |
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| Reactant | Potassium Iodide | HCID 4875 | — |
| Reactant | p-Toluenesulfonic acid monohydrate | HCID 521998 | — |
| Reactant | Sodium Nitrite | HCID 23668193 | — |
| Reactant | 1-(3-amino-1-isopropyl-1H-pyrazol-4-yl)ethanone | HCID 51034229 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | 1-(3-Iodo-1-isopropyl-1H-pyrazol-4-yl)ethanone | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08501758B2 |
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| Source dataset | uspto-grants-2013_08 |
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| ORD ID | ord-bfea7a232503405e9004c4d6787a7f1d |
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| Source note | uspto-grants-2013_08 |
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