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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 241986Erstellt: 25. Oktober 2026

Potassium Iodide → HCID 46896511, Verbindung

https://huagongshe.com/reaction/241986

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktPotassium IodideHCID 4875—
EduktPotassium CarbonateHCID 11430—
EduktTributylphosphineHCID 13831—
Edukt1-(4-(Chloromethyl)phenyl)-1H-imidazoleHCID 7063859—
EduktHCID 178514319HCID 178514319—
LösungsmittelWaterHCID 962—
LösungsmittelAcetonitrileHCID 6342—
ProduktHCID 46896511HCID 46896511—

Reaktionsschritte

4-Diazo-2,5-bis(2-fluorophenyl)-2,4-dihydro-3H-pyrazol-3-one (0.17 g, 0.56 mmol) was dissolved in acetonitrile (5 mL) and treated with tri-n-butylphosphine (0.11 g, 0.56 mmol, 1.0 equiv). After stirring for 30 minutes at ambient temperature, 1-[4-(chloromethyl)phenyl]-1H-imidazole (0.11 g, 0.56 mmol, 1.0 equiv), potassium iodide (47 mg, 0.28 mmol, 0.5 equiv) and potassium carbonate (97 mg, 0.70 mmol, 1.25 equiv) were added at ambient temperature. After 45 minutes, the reaction mixture was warmed to 85° C., stirred for 2.5 hours and then cooled to ambient temperature. The mixture was poured into water (100 mL), extracted with ethyl acetate (2×75 mL) and the combined organic extracts were dried with sodium sulfate, filtered and concentrated in vacuo. The residue was purified twice by silica gel gradient chromatography (100:0 to 0:100; hexanes:ethyl acetate containing 10% methanol; and then 100:0 to 90:10; dichloromethane:methanol containing 10% ammonium hydroxide), providing the titled compound as a deep red solid: 1H-NMR (400 MHz, CDCl3) δ 8.33 (1H, dd, J=7.6, 1.8 Hz), 7.85 (1H, br s), 7.67-7.53 (4H, m), 7.46 (2H, d, J=8.5 Hz), 7.40 (2H, d, J=8.5 Hz), 7.42-7.37 (1H, m), 7.31-7.20 (4H, m), 5.88 (2H, s) ppm; high resolution mass spectrometry (ES+) m/z 437.1526 [(M+H)+; calculated for C25H18FN6O: 437.1521].

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08653079B2
Quelldatensatzuspto-grants-2014_02
ORD IDord-7f12b7f3609f415dab3821db2a863fff
Quellennotizuspto-grants-2014_02