Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1524942Erstellt: 26. Oktober 2026

Pyrazole → 3-Fluoro-2-(1H-pyrazol-1-YL)benzoic acid

https://huagongshe.com/reaction/1524942

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktPyrazoleHCID 1048—
EduktCesium carbonateHCID 10796—
Edukttrans-N,N'-dimethyl-1,2-cyclohexanediamineHCID 2733821—
Edukt3-Fluoro-2-iodobenzoic acidHCID 22320308—
KatalysatorCopper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
LösungsmittelWaterHCID 962—
Lösungsmittel1,4-DioxaneHCID 31275—
Produkt3-Fluoro-2-(1H-pyrazol-1-YL)benzoic acidHCID 5340975272,8%

Reaktionsbedingungen

Temperatur100 °C

Reaktionsschritte

To a mixture of 3-fluoro-2-iodobenzoic acid (1.4 g, 5.26 mmol), 1H-pyrazole (0.72 g, 10.5 mmol), trans-N,N′-dimethyl-cyclohexane-1,2-diamine (0.17 mL, 1.05 mmol), CuI (50.1 mg, 0.26 mmol), dioxane (50 mL) and water (0.028 mL) was added Cs2CO3 (3.43 g, 10.5 mmol). The reaction mixture was heated to 100° C. for 1 h. The reaction mixture was cooled to ambient temperature then diluted with water. The aqueous layer was acidified to pH2 and extracted with EtOAc (30 mL) three times. The organic layers were combined, dried over Na2SO4, filtered and concentrated. Purification (FCC), (DCM to 10% MeOH/1% HOAC/DCM) afforded the title compound as a colorless oil (790 mg, 72%). 1H NMR (400 MHz, CDCl3): 7.85-7.73 (m, 1H), 7.54-7.44 (m, 1H), 7.44-7.34 (m, 1H), 6.55 (s, 1H).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS09079911B2
Quelldatensatzuspto-grants-2015_07
ORD IDord-17a10423db9243e3a066d550f7e6fba0
Quellennotizuspto-grants-2015_07