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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 889566Erstellt: 26. Oktober 2026

Tributylamine → 3-(5-Methyl-2-tetrazol-1-yl-phenyl)-propionic acid ethyl ester

https://huagongshe.com/reaction/889566

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktTributylamineHCID 7622—
Edukt3,3-Diethoxy-1-propeneHCID 62477—
Edukt3-(5-Methyl-2-tetrazol-1-yl-phenyl)-propionic acidHCID 66938857—
KatalysatorTetrabutylammonium ChlorideHCID 70681—
Katalysatorpalladium(II) acetateHCID 167845—
LösungsmittelDimethylformamideHCID 6228—
Produkt3-(5-Methyl-2-tetrazol-1-yl-phenyl)-propionic acid ethyl esterHCID 6693834166,8%

Reaktionsbedingungen

Temperatur90 °C

Reaktionsschritte

3-(5-Methyl-2-tetrazol-1-yl-phenyl)-propionic acid: To a mixture of 117A (956 mg, 4.00 mmol), 3,3-diethoxyprop-1-ene (1562 mg, 12.00 mmol), and Bu4NCl (1110 mg, 4.00 mmol) in DMF (22 mL) was added Bu3N (1480 mg, 8.00 mmol). To this mixture under N2 was added Pd(OAc)2 (26.9 mg, 0.12 mmol). The resulting mixture was stirred at 90° C. for 1.5 h, then cooled to rt and quenched with 2N HCl (10 mL). The resulting mixture was stirred for 20 min, then evaporated. The mixture was diluted with EtOAc, washed with water and brine, dried over MgSO4, and purified by flash chromatography to provide 3-(5-Methyl-2-tetrazol-1-yl-phenyl)-propionic acid ethyl ester (695 mg, 66.8%). LCMS m/z 261.2 (M+H)+. To a solution of this intermediate (690 mg, 2.65 mmol), in THF (10 mL) was added 2N LiOH (10 mL). The resulting mixture was stirred at rt for 3 h, then acidified to pH 3-4 with 2N HCl at 0° C. The mixture was concentrated and extracted with EtOAc (5×20 mL). The combined organic layers were washed with brine, dried over MgSO4, and purified by prep. HPLC to give 117B (567 mg, 92%). LCMS m/z 233.2 (M+H)+.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08252830B2
Quelldatensatzuspto-grants-2012_08
ORD IDord-6fb84f37688549b48cd5799e5df8c943
Quellennotizuspto-grants-2012_08