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Dimethylformamide → 2-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4(1H)-one

HRID 1519054
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1519054
CN(C=O)C.C(Cl)(=O)C(Cl)=O.[F:12][CH:13]([F:25])[CH:14]([C:16]1[N:17]([CH3:24])[CH:18]=[CH:19][C:20](=[O:23])[C:21]=1[OH:22])O>C(#N)C>[F:25][CH:13]([F:12])[CH2:14][C:16]1[N:17]([CH3:24])[CH:18]=[CH:19][C:20](=[O:23])[C:21]=1[OH:22]
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Komponenten

5

Edukt 3

HCID 6228DimethylformamideHCID 65578Oxalyl chlorideHCID 668690812-(2,2-difluoro-1-hydroxyethyl)-3-hydroxy-1-methylpyridin-4(1H)-one

Produkt 1

HCID 866728142-(2,2-difluoroethyl)-3-hydroxy-1-methylpyridin-4(1H)-oneAusbeute 24 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6342AcetonitrileLösungsmittel

Versuchsvorschrift

To 10 mL of acetonitrile at ice-water bath was added DMF (0.14 mL, 1.8 mmol) followed by oxalyl chloride (0.15 mL, 1.8 mmol) dropwise. To this resulting suspension was added 2-(2,2-difluoro-1-hydroxyethyl)-3-hydroxy-1-methylpyridin-4(1H)-one (0.30 g, 1.5 mmol) in one portion, and the resulting mixture was stirred for 2 h. A solid was collected by filtration, and it was dissolved in 150 mL of acetonitrile. To this resulting solution was added Pd/C (10%, wet, 0.20 g, 66.7% w/w), and the mixture was subjected to hydrogenation under 40 psi hydrogen pressure for 2 h. The catalyst was filtered off, and the filtrate was evaporated to dryness. The residue was dissolved in de-ionized water, and the pH was adjusted to 5-6 using a 6N NaOH solution. The precipitate was collected via suction filtration to afford the crude product (100 mg) as an off-white solid. The crude was further purified by Biotage using reversed phase C18 cartridge to afford the title compound, Apo7080 (66 mg) as white solid. Yield=24%; 1H NMR (400 MHz, CD3OD) δ (ppm): 7.65 (d, J=7.2 Hz, 1H), 6.41 (d, J=7.2 Hz, 1H), 6.19 (tt, J=56.5, 4.7 Hz, 1H), 3.83 (s, 3H), 3.51 (dt, 3J=15.9 Hz, 2J=4.6 Hz, 2H); MS m/z 190 [M+1]+, 188 (100%).

Aufarbeitung

  1. filtrationA solid was collected by filtration, and it
  2. dissolutionwas dissolved in 150 mL of acetonitrile
  3. additionTo this resulting solution was added Pd/C (10%, wet, 0.20 g, 66.7% w/w)
  4. waitthe mixture was subjected to hydrogenation under 40 psi hydrogen pressure for 2 h
  5. filtrationThe catalyst was filtered off
  6. customthe filtrate was evaporated to dryness
  7. dissolutionThe residue was dissolved in de-ionized water
  8. filtrationThe precipitate was collected via suction filtration
  9. customto afford the crude product (100 mg) as an off-white solid
  10. customThe crude was further purified by Biotage

Quellen und Nachweise

ORD-Eintrag
ord-7a991436206b4a1eb3f30424aa1a4ef9
Quelldatensatz
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09073865B2

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