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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 492004Erstellt: 23. Oktober 2026

Ethanol → ethyl 3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoate

https://huagongshe.com/de/reaction/492004

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktEthanolHCID 702—
EduktPentanenitrile, 4,4-dimethyl-3-oxo-HCID 108871—
Edukt3-Hydrazinobenzoic acid hydrochlorideHCID 12891863—
Produkt3-(3-tert-butyl-5-amino-1H-pyrazol-1-yl)benzoic acidHCID 2186728436%
Produktethyl 3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoateHCID 2186732240%

Reaktionsschritte

A mixture of 3-hydrazino-benzoic acid hydrochloride (200 g, 1.06 mol) and 4,4-dimethyl-3-oxo-pentanenitrile (146 g, 1.167 mol) in ethanol (2 L) was heated to reflux overnight. The reaction solution was evaporated under reduced pressure. The residue was purified by column chromatography to give 3-(5-amino-3-t-butyl-pyrazol-1-yl)-benzoic acid ethyl ester (116 g, 40%) as a white solid together with 3-(5-amino-3-t-butyl-pyrazol-1-yl)-benzoic acid (93 g, 36%). 3-(5-amino-3-t-butyl-pyrazol-1-yl)-benzoic acid and ethyl ester: 1H NMR (DMSO-d6): 8.09 (s, 1H), 8.05 (brd, J=8.0 Hz, 1H), 7.87 (br d, J=8.0 Hz, 1H), 7.71 (t, J=8.0 Hz, 1H), 5.64 (s, 1H), 4.35 (q, J=7.2 Hz, 2H), 1.34 (t, J=7.2 Hz, 3H), 1.28 (s, 9H).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS07531566B2
Quelldatensatzuspto-grants-2009_05
ORD IDord-6ab6eb51d56243dba52455e00eafc2e4
Quellennotizuspto-grants-2009_05