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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 75591Erstellt: 25. Oktober 2026

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

https://huagongshe.com/reaction/75591

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
PatentnummerUS08835431B2
Quelldatensatzuspto-grants-2014_09
ORD IDord-f981191d6d004772bb16d33b65bafe56
Quellennotizuspto-grants-2014_09