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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 59859Erstellt: 24. Oktober 2026

Water → HCID 136413229, Verbindung

https://huagongshe.com/de/reaction/59859

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktWaterHCID 962—
EduktPotassium CarbonateHCID 11430—
Edukt2-Isopropylphenyl isothiocyanateHCID 142052—
Edukt3-oxo-N-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)-butanamideHCID 86675799—
LösungsmittelDimethylformamideHCID 6228—
ProduktHCID 136413229HCID 13641322948,5%

Reaktionsschritte

A portion of the solid from Step 1 (0.50 g, 1.24 mmol) was dissolved in 5 mL of dry N,N-dimethylformamide (DMF) and stirred at ambient temperature while potassium carbonate (0.25 g, 1.81 mmol) and 2-isopropylphenyl isothiocyanate (0.25 g, 1.41 mmol) were added. The solution was stirred for 18 h, then it was poured into 15 mL of water, extracted with ether, and the solvent evaporated. Chromatography of the crude product (0-70% EtOAc-hexanes) gave 350 mg of the title compound as an off-white solid. mp 141-144° C. 1H NMR (400 MHz, CDCl3) δ 15.35-14.58 (m, 1H), 10.93 (s, 1H), 8.57 (m, 3H), 8.31-8.11 (m, 6H), 7.71 (m, 12H), 7.56-7.30 (m, 15H), 5.35 (s, 1H), 3.02 (heptet, J=6.9 Hz, 1H), 2.52 (s, 3H), 1.35-1.11 (m, 6H); ESIMS m/z 582 ([M+H]+).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS09440964B2
Quelldatensatzuspto-grants-2016_09
ORD IDord-df36fe8a5ba749379eb9a3c2bd98cf71
Quellennotizuspto-grants-2016_09