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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 18472Erstellt: 24. Oktober 2026

Water → HCID 66997065, Verbindung

https://huagongshe.com/de/reaction/18472

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktWaterHCID 962—
Eduktp-Toluenesulfonic acidHCID 6101—
Edukt(S)-3'-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6',7'-dihydrospiro[[1,3]dioxolane-2,5'-indazole]-1'(4'H)-carboxamideHCID 46863561—
EduktHCID 46863563HCID 46863563—
LösungsmittelAcetoneHCID 180—
ProduktHCID 66997065HCID 6699706591%

Reaktionsschritte

Preparation of 3-(3,4-difluorophenyl)-N—((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-hydroxy-4,5,6,7-tetrahydro-1H-indazole-1-carboxamide (67) A mixture of compound 63 (0.91 g) and p-toluenesulfonic acid (1.3 g) was heated in acetone and water at 50° C. until starting material was consumed. After evaporation of acetone, the residue was extracted between EtOAc and saturated sodium bicarbonate. The organic phase was dried over sodium sulfate and evaporated to dryness. The crude product was purified by column chromatography with 70% to 80% EtOAc/Hex to give (S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-5-oxo-4,5,6,7-tetrahydro-1H-indazole-1-carboxamide (0.75 g, 91% yield), which was reduced with sodium borohydride (1.0 equiv.) in MeOH to give compound 67 as a mixture of two diastereomers after purification with a preparative LC-MS. LCMS (+ESI) m/z=421.2 [M+H]+.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS07741350B1
Quelldatensatzuspto-grants-2010_06
ORD IDord-728e1c0d78d54310a6b3e1121a47319a
Quellennotizuspto-grants-2010_06