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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 1270528Erstellt: 24. Oktober 2026

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

https://huagongshe.com/de/reaction/1270528

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
PatentnummerUS07202257B2
Quelldatensatzuspto-grants-2007_04
ORD IDord-b321b983b7c44ea4aa767ec5c17af5cd
Quellennotizuspto-grants-2007_04