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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 251362Erstellt: 26. Oktober 2026

Triethylamine → 5-Amino-1-(5-carboxy-2-methyl-phenyl)-3-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

https://huagongshe.com/reaction/251362

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktTriethylamineHCID 8471—
EduktEthyl 2-cyano-3-ethoxy-2-butenoateHCID 46635—
Edukt3-Hydrazino-4-methylbenzoic acid hydrochlorideHCID 56777508—
LösungsmittelEthanolHCID 702—
Produkt5-Amino-1-(5-carboxy-2-methyl-phenyl)-3-methyl-1H-pyrazole-4-carboxylic acid ethyl esterHCID 6702423687,9%

Reaktionsbedingungen

Temperatur65 °C

Reaktionsschritte

To a stirred solution of 3-hydrazino-4-methylbenzoic acid hydrochloride (Example 3A, 353 mg, 1.74 mmol, 1.0 eq) in 15 mL of ethanol were added 2-cyano-3-ethoxy-but-2-enoic acid ethyl ester (prepared as described by Xia et al., J. Med. Chem., 1997, 40, 4372) (319 mg, 1.746 mmol, 1.0 eq) and triethylamine (242 μL, 1.74 mmol, 1.0 eq) and the mixture was heated at 65° C. overnight. The mixture was cooled to room temperature and concentrated. The crude residue was purified by flash chromatography on silica gel (loaded with CH2Cl2, and packed and eluted with gradient from 6/4 hexanes/EtOAc to elute byproducts followed by 8/2 EtOAc/hexanes and 8/2 EtOAc/MeOH to elute product) to provide the product as a brown solid (464 mg, 68%). HPLC (4 minute 10-95 gradient) tR 1.97 min; MS m/z 304.1 [M+H]+

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS07863314B2
Quelldatensatzuspto-grants-2011_01
ORD IDord-350dac818c464c3aab80db5292781355
Quellennotizuspto-grants-2011_01