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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 19007Erstellt: 25. Oktober 2026

Diisopropylethylamine → 6-{(S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionylamino}-nicotinic acid methyl ester

https://huagongshe.com/reaction/19007

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktDiisopropylethylamineHCID 81531—
EduktMethyl 6-aminonicotinateHCID 737487—
EduktPyBroPHCID 2733179—
Edukt(S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionic acidHCID 66893500—
LösungsmittelDichloromethaneHCID 6344—
LösungsmittelEthyl AcetateHCID 8857—
Produkt6-{(S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionylamino}-nicotinic acid methyl esterHCID 4425173633%

Reaktionsbedingungen

Temperatur25 °C

Reaktionsschritte

A solution of (S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionic acid (prepared as in Example 67, 206 mg, 0.54 mmol) in dichloromethane (5 mL) was treated with 6-amino-nicotinic acid methyl ester (110 mg, 0.72 mmol), bromotripyrrolidinophosphonium hexafluorophosphate (503 mg, 1.1 mmol) and N,N-diisopropylethylamine (150 mg, 1.1 mmol). The reaction mixture was stirred for 4 h at 25° C., under nitrogen. The reaction mixture was diluted with ethyl acetate, washed with saturated ammonium chloride, water, a saturated sodium chloride solution and dried over sodium sulfate. The organic layer was concentrated, and the crude product was purified by ISCO flash chromatography (Teledyne Isco RediSep Flash Column 12 g, 0% to 100% ethyl acetate/hexanes) to afford 6-{(S)-2-[4-(2-chloro-6-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-3-cyclohexyl-propionylamino}-nicotinic acid methyl ester (90 mg, 33%): 1H NMR (300 MHz, DMSO-d6) δ ppm 0.77-1.36 (m, 6H) 1.40-1.92 (m, 7H) 3.86 (s, 3H) 4.29 (d, J=18.7 Hz, 1H) 4.64 (d, J=18.7 Hz, 1H) 5.00 (s, 1H) 5.01-5.10 (m, 1H) 7.30-7.61 (m, 3H) 8.16 (d, J=8.8 Hz, 1H) 8.29 (dd, J=8.8, 2.1 Hz, 1H) 8.87 (d, J=2.1 Hz, 1H) 11.32 (s, 1H). HR-ES-MS m/z calculated for C26H27ClFN3O5 [M+H]+ 516.1696, observed 516.1696.

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS07741327B2
Quelldatensatzuspto-grants-2010_06
ORD IDord-797f94d384f346ca8094e0e606522cac
Quellennotizuspto-grants-2010_06