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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 509015Erstellt: 24. Oktober 2026

3,3-Dimethyl-1-butyne → N-(4-Chloro-2-fluoro-3-(4,5-dihydro-3-(4-(3,3-dimethylbut-1-ynyl)phenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamide

https://huagongshe.com/de/reaction/509015

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
Edukt3,3-Dimethyl-1-butyneHCID 13512—
EduktTetrabutylammonium FluorideHCID 2724141—
EduktN-(4-Chloro-2-fluoro-3-(4,5-dihydro-3-(4-iodophenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamideHCID 136492417—
KatalysatorHCID 178418476HCID 178418476—
LösungsmittelDimethyl SulfoxideHCID 679—
ProduktN-(4-Chloro-2-fluoro-3-(4,5-dihydro-3-(4-(3,3-dimethylbut-1-ynyl)phenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamideHCID 13624611148,5%

Reaktionsbedingungen

Temperatur80 °C

Reaktionsschritte

To a solution of N-(4-chloro-2-fluoro-3-(4,5-dihydro-3-(4-iodophenyl)-5-oxo-1,2,4-triazol-1-yl)benzyl)pivalamide (Intermediate-68, 0.050 g, 0.094 mmol) in DMSO (3.0 mL), 3,3-dimethylbut-1-yne (0.011 g, 0.142 mmol), TBAF (0.074 g, 0.283 mmol) and bis(triphenylphosphine)palladium(II) chloride (0.020 g, 0.022 mmol) were added and the reaction mass was stirred at 80° C. for 5-6 h. After completion of the reaction, the reaction mass was quenched with water and extracted with DCM and concentrated. The obtained crude product was purified with column chromatography on silica gel column and 2.0% EA:DCM as mobile phase to afford 0.022 g of the desired title product. 1H NMR (400 MHz, DMSO d6): δ 1.09 (s, 9H), 1.25 (s, 9H), 4.31 (br s, 2H), 7.35-7.51 (m, 4H), 7.80 (d, J=8.3 Hz, 2H), 8.18-8.20 (m, 1H); MS (m/z): 481.14 (M−H)−.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS09096545B2
Quelldatensatzuspto-grants-2015_08
ORD IDord-4ce434e129e648f2b473016a65725383
Quellennotizuspto-grants-2015_08