Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1255165Erstellt: 25. Oktober 2026

Sodium Carbonate → Ethyl 5-(trifluoromethyl)-1-(6-{2-[(4-{(E)-2-[4-(trifluoromethyl)phenyl]vinyl}benzyl)oxy]phenyl}pyridin-2-yl)-1H-pyrazole-4-carboxylate

https://huagongshe.com/reaction/1255165

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktSodium CarbonateHCID 10340—
Edukt(4-(Trifluoromethyl)styryl)boronic acidHCID 4573116—
EduktEthyl 1-(6-{2-[(4-bromobenzyl)oxy]phenyl}pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateHCID 67159752—
LösungsmittelAcetonitrileHCID 6342—
ProduktEthyl 5-(trifluoromethyl)-1-(6-{2-[(4-{(E)-2-[4-(trifluoromethyl)phenyl]vinyl}benzyl)oxy]phenyl}pyridin-2-yl)-1H-pyrazole-4-carboxylateHCID 86633490—

Reaktionsschritte

To a vial containing the title compound from Example 2 Step A (50.0 mg, 0.092 mmol) were added 2-(4-trifluoromethylphenyl)vinyl boronic acid (29.6 mg, 0.137 mmol) and trans-dichlorobis(triphenylphosphine) palladium (II) (6.4 mg, 0.009 mmol). Acetonitrile (0.400 mL) and sodium carbonate (0.229 mL, 1.0 M aqueous, 0.229 mmol) were added, and the resulting mixture was degassed via nitrogen sparge. The reaction vial was capped and placed in a pre-heated oil bath (70° C.). After 18 h, the reaction mixture was allowed to cool to ambient temperature and was poured into water. The mixture was extracted with DCM, and the organic phase was concentrated in vacuo. Purification by chromatography on silica gel (0 to 30% EtOAc in hexanes, then 30 to 100% EtOAc in hexanes) provided the title compound: LCMS m/z 638.4 [M+H]+; 1H NMR (500 MHz, CDCl3) δ 8.16 (d, J=8.0 Hz, 1H), 8.13 (s, 1H), 7.97 (d, J=7.5 Hz, 1H), 7.88 (t, J=7.5 Hz, 1H), 7.61 (br s, 4H), 7.54 (d, J=8.0 Hz, 1H), 7.52 (d, J=8.5 Hz, 2H), 7.41-7.39 (m, 1H), 7.37 (d, J=7.5 Hz, 1H), 7.21-7.06 (m, 4H), 5.18 (s, 2H), 4.38 (q, J=7.0 Hz, 2H), 1.39 (t, J=7.0 Hz, 3H).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08455638B2
Quelldatensatzuspto-grants-2013_06
ORD IDord-0ca67ef807f64216b7fd49d8799cbab2
Quellennotizuspto-grants-2013_06