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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 2060346Erstellt: 26. Oktober 2026

Ethanol → [5-(2-Amino-phenyl)-thiophen-2-yl]-acetic acid methyl ester

https://huagongshe.com/reaction/2060346

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktEthanolHCID 702—
EduktNitrogenHCID 947—
EduktMethyl 2-(5-bromothiophen-2-yl)acetateHCID 12403315—
Edukt2-Aminophenylboronic acid hydrochlorideHCID 16427090—
KatalysatorTetrakis(triphenylphosphine)palladiumHCID 11979704—
LösungsmittelWaterHCID 962—
LösungsmittelTolueneHCID 1140—
Produkt[5-(2-Amino-phenyl)-thiophen-2-yl]-acetic acid methyl esterHCID 1611616051,3%

Reaktionsbedingungen

Temperatur100 °C

Reaktionsschritte

(The following reaction is carried out in an N2 atmosphere.) Ethanol (3.7 mL), tetrakis-(triphenylphosphine)-palladium(0) (289 mg, 0.25 mmol) and Na2CO3 decahydrate (4.0 g, 14.0 mmol) dissolved in water (5.2 mL) are subsequently added to a solution of 2-amino-benzeneboronic acid hydrochloride (910 mg, 5.25 mmol) in toluene (52 mL). Degas the reaction mixture carefully (5 times) and flush with N2 again. A solution of (5-bromo-thiophen-2-yl)-acetic acid methyl ester (43) (1.17 g, 5.0 mmol) in toluene (4.5 mL) is added. Degas the mixture again (5 times) and stir for 22 h at 100° C. Partition the reaction solution between EtOAc and brine and extract the separated aqueous layer with EtOAc (3 times). Wash combined organic layer with water and brine and dry it with Na2SO4. Purify the crude product by preparative radial chromatography (CyH/EtOAc 5+1] to obtain [5-(2-amino-phenyl)-thiophen-2-yl]-acetic acid methyl ester (44) as a brown oil (634 mg, 51%). 1H NMR (400 MHz, CDCl3): 3.73 (s, 3H); 3.83 (s, 2H); 3.92-4.07 (br.s, 2H); 6.74 (d, 1H); 6.76 (td, 1H, J1=7.6 Hz, J2=1.3 Hz); 6.92 (d, 1H, J=3.5 Hz); 7.02 (d, 1H, J=3.5 Hz); 7.11 (td, 1H, J1=7.6 Hz, J2=1.5 Hz); 7.23 (dd, 14H, J1=7.6 Hz, J2=1.5 Hz).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS08278356B2
Quelldatensatzuspto-grants-2012_10
ORD IDord-8c0783c11b7b459eb402ec7f9cc21960
Quellennotizuspto-grants-2012_10