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

HRID 220222Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 220222
Cl.[NH:2]([C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=1)[NH2:3].[CH3:12][C:13]([CH3:20])([CH3:19])[C:14](=O)[CH2:15][C:16]#[N:17]>CO>[NH2:17][C:16]1[N:2]([C:4]2[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=2)[N:3]=[C:14]([C:13]([CH3:20])([CH3:19])[CH3:12])[CH:15]=1

Komponenten

4

Edukt 2

HCID 108871Pentanenitrile, 4,4-dimethyl-3-oxo-HCID 162129624-Cyanophenylhydrazine Hydrochloride

Produkt 1

HCID 71470834-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrileAusbeute 82,1 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 887MethanolLösungsmittel

Versuchsvorschrift

A flask was charged with 4-hydrazinylbenzonitrile hydrochloride (0.70 g, 3.8 mmol.), 4,4-dimethyl-3-oxopentanenitrile (0.48 g, 3.8 mmol) and MeOH and the reaction was heated at refluxed overnight. The reaction was cooled, and the solids which formed upon cooling were filtered off and discarded. Additional solids formed upon further standing (product) along with product material in solution. The solution containing, the solids was concentrated to yield 0.75 g of solid product (92%). MS M+1 (241).

Aufarbeitung

  1. temperaturethe reaction was heated
  2. temperatureat refluxed overnight
  3. temperatureThe reaction was cooled
  4. customthe solids which formed
  5. temperatureupon cooling
  6. filtrationwere filtered off
  7. customAdditional solids formed upon further standing (product) along with product material in solution
  8. additionThe solution containing
  9. concentrationthe solids was concentrated

Quellen und Nachweise

ORD-Eintrag
ord-47f23733431e4f64928cf6f1025ffbcb
Quelldatensatz
uspto-grants-2012_06
Patentnummer
US08202899B2

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