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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 508916Erstellt: 26. Oktober 2026

Tetrabutylammonium Fluoride → 5-(2-Chloro-6-fluorophenyl)-2-(4-{[2-chloro-4-(trifluoromethyl)phenyl]ethynyl}phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

https://huagongshe.com/reaction/508916

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktTetrabutylammonium FluorideHCID 2724141—
Edukt3-Chloro-4-iodobenzotrifluorideHCID 2736612—
Edukt5-(2-chloro-6-fluorophenyl)-2-(4-ethynylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneHCID 136644858—
KatalysatorHCID 178418476HCID 178418476—
LösungsmittelDimethyl SulfoxideHCID 679—
Produkt5-(2-Chloro-6-fluorophenyl)-2-(4-{[2-chloro-4-(trifluoromethyl)phenyl]ethynyl}phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-oneHCID 13649246925,5%

Reaktionsschritte

The title compound was prepared according to the procedure described in Example-3 using 5-(2-chloro-6-fluorophenyl)-2-(4-ethynylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (Intermediate-2, 0.100 g, 0.319 mmol), 2-chloro-1-iodo-4-(trifluoromethyl)benzene (0.147 g, 0.479 mmol), TBAF (0.201 g, 0.638 mmol), bis(triphenylphosphine)palladium(II) chloride (0.020 g, 0.028 mmol) and DMSO (3.0 mL). The obtained product was purified with column chromatography on silica gel eluting with 1.0% MeOH:DCM to afford 0.040 g of the desired product. 1H NMR (300 MHz, DMSO d6): δ 7.51 (d, J=8.7 Hz, 1H), 7.59 (d, J=7.8 Hz, 1H), 7.67-7.87 (m, 3H), 7.84 (t, J=8.4 Hz, 2H), 8.05 (d, J=8.4 Hz, 2H), 8.11 (s, 1H), 12.75 (br s, 1H). MS (m/z): 492.22 (M+).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS09096545B2
Quelldatensatzuspto-grants-2015_08
ORD IDord-abd6f239cb054cb1803174583e929bee
Quellennotizuspto-grants-2015_08