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HRID 572081Erstellt: 26. Oktober 2026

Pentanenitrile, 4,4-dimethyl-3-oxo- → 4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile

https://huagongshe.com/reaction/572081

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktPentanenitrile, 4,4-dimethyl-3-oxo-HCID 108871—
Edukt4-Cyanophenylhydrazine HydrochlorideHCID 16212962—
LösungsmittelEthanolHCID 702—
Produkt4-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrileHCID 714708395%

Reaktionsschritte

A cream suspension of 4-cyanophenylhydrazine hydrochloride (1.70 g, 10.0 mmol) and 4,4-dimethyl-3-oxopentanenitrile (1.31 g, 10.5 mmol) in EtOH (25 mL) was stirred at reflux for 4 h, then at RT for 64 h, and again at reflux for 24 h. The solution was cooled to RT, concentrated in vacuo, and partitioned between water (50 mL) and EtOAc (75 mL). The organics were washed with brine (50 mL), dried (Na2SO4), filtered and concentrated in vacuo to leave an orange solid (2.28 g, 95%). LCMS (Method 3): Rt 3.45 min, m/z 241 [MH+].

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS09029373B2
Quelldatensatzuspto-grants-2015_05
ORD IDord-db7d8b94b3954f1daa93a4e6b5457443
Quellennotizuspto-grants-2015_05