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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 84137Erstellt: 23. Oktober 2026

Cesium carbonate → 1-(3-Fluoro-4-methylphenyl)isoquinoline

https://huagongshe.com/de/reaction/84137

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktCesium carbonateHCID 10796—
EduktTris(1,1-dimethylethyl)phosphineHCID 83681—
EduktIsoquinoline, 1-chloro-HCID 140539—
Edukt3-Fluoro-4-methylbenzeneboronic acidHCID 2782674—
Katalysatorpalladium(II) acetateHCID 167845—
LösungsmittelDichloromethaneHCID 6344—
Lösungsmittel1,4-DioxaneHCID 31275—
Produkt1-(3-Fluoro-4-methylphenyl)isoquinolineHCID 58225155—

Reaktionsbedingungen

Temperatur105 °C

Reaktionsschritte

500 ml of degassed dioxane were initially charged and admixed with 10.0 g (61.14 mmol) of 1-chloroisoquinoline, 18.8 g (122.0 mmol, 2.0 eq.) of 3-fluoro-4-methylbenzeneboronic acid and 24.0 g (73.66 mmol, 1.2 eq.) of Cs2CO3. The reaction mixture was degassed for 10 min and admixed with 1.25 ml (5.49 mmol, 9 mol %) of t-Bu3P and 0.412 g (1.83 mmol, 3 mol %) of Pd(OAc)2. The mixture was stirred at 105° C. for 18 h, subsequently admixed with 400 ml of dichloromethane and washed three times with 200 ml of NaHCO3 solution and water. Subsequently, the mixture was filtered through Celite, dried over MgSO4 and concentrated under reduced pressure. The viscous oil was columned on silica gel with ethyl acetate/heptane (1:5). 10.47 g were obtained, corresponding to 72.2% of theory, with a purity of 99.5%.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08846920B2
Quelldatensatzuspto-grants-2014_09
ORD IDord-7bd9cc16f6dd4331ab4f55867c43d59e
Quellennotizuspto-grants-2014_09