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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 366745Erstellt: 24. Oktober 2026

Water → (S)-(Z)-3-[(4-Acetyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-5-fluoro-4-[(pyrrolidin-2-yl)ethynyl]-2H-indol-2-one

https://huagongshe.com/de/reaction/366745

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
EduktWaterHCID 962—
Edukt(S)-N-Boc-2-ethynylpyrrolidineHCID 11030701—
Edukt(Z)-3-[(4-Acetyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-5-fluoro-4-iodo-2H-indol-2-oneHCID 18366029—
KatalysatorHCID 178418397HCID 178418397—
LösungsmittelDimethylformamideHCID 6228—
LösungsmittelDichloromethaneHCID 6344—
LösungsmittelTrifluoroacetic acidHCID 6422—
LösungsmittelTriethylamineHCID 8471—
LösungsmittelEthyl AcetateHCID 8857—
Produkt(S)-(Z)-3-[(4-Acetyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-5-fluoro-4-[(pyrrolidin-2-yl)ethynyl]-2H-indol-2-oneHCID 59959920—

Reaktionsschritte

Using Method C above, (S)-N-Boc-2-Ethynyl-pyrrolidine (220 mg, 1.13 mmol) (Example 87B) was coupled with (Z)-3-[(4-acetyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-5-fluoro-4-iodo-2H-indol-2-one (150 mg, 0.38 mmol) (Example 90B) using (Ph3P)4Pd (44 mg, 0.04 mmol) and a catalytic amount of Cul in a mixture of DMF (5 mL) and Et3N (5 mL) as solvent at 80° C. for 7 hrs. Upon completion, the reaction mixture was diluted with EtOAc and extracted with H2O. The organic layer was dried over Na2SO4, concentrated and the residue was chromatographed on a silica gel column with a 0-5% MeOH in CH2Cl2 gradient. The intermediate that resulted from this process was dissolved in 6 mL of a 50% trifluoroacetic acid in CH2Cl2 solution that contained 0.3 mL of H2O at 0° C. and stirred for 2 hrs. Upon completion, the reaction mixture was diluted with EtOAc and extracted with ammonium hydroxide. The organic layer was dried over Na2SO4 and concentrated. The (S)-(Z)-3-[(4-Acetyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-5-fluoro-4-[(pyrrolidin-2-yl)ethynyl]-2H-indol-2-one was obtained after silica gel column with a 0-10% MeOH in CH2Cl2 gradient and precipitation out of THF with excess of pentane. (Yield 56 mg, 41%).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS06130239
Quelldatensatzuspto-grants-2000_10
ORD IDord-0f4ef7873a5542c19596a2bcf127417a
Quellennotizuspto-grants-2000_10