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Methanol → HCID 21904789, Verbindung

HRID 1246721
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1246721
[CH:1]([N-:4][CH:5]([CH3:7])C)([CH3:3])C.[Li+].[F:9][C:10]([F:25])([F:24])[C:11]1[C:12](N2CCC(=O)CC2)=[N:13][CH:14]=[CH:15][CH:16]=1.[C:26]1(N(S(C(F)(F)F)(=O)=O)S(C(F)(F)F)(=O)=O)[CH:31]=CC=CC=1.C(N(CC)CC)C.[CH3:54][OH:55].[C]=[O:57]>C1COCC1.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.CN(C=O)C>[F:25][C:10]([F:9])([F:24])[C:11]1[C:12]([N:4]2[CH2:1][CH:3]=[C:31]([C:26]([O:55][CH3:54])=[O:57])[CH2:7][CH2:5]2)=[N:13][CH:14]=[CH:15][CH:16]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

10

Edukt 6

HCID 887MethanolHCID 8471TriethylamineHCID 142176Phenyl triflimideHCID 2724682Lithium diisopropylamideHCID 219047511-(3-(Trifluoromethyl)pyridin-2-YL)piperidin-4-oneHCID 178418416HCID 178418416, Verbindung

Produkt 1

HCID 21904789
HCID 21904789, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 178418476HCID 178418476, VerbindungKatalysatorHCID 6228DimethylformamideLösungsmittelHCID 8028TetrahydrofuranLösungsmittel2×

Reaktionsbedingungen

Temperatur
80 °C

Versuchsvorschrift

Lithium diisopropyl amide (37.3 mmol) in THF (75 mL) at −78° C. was treated with 1-[3-(trifluoromethyl)pyridin-2-yl]piperidin-4-one (8.30 g, 34.0 mmol) in THF (25 mL) and stirred for 45 minutes. The mixture was treated with solid PhNTf2 (14.0 g, 39.1 mmol), stirred for 1 hour, and concentrated under reduced pressure. The residue was diluted with ethyl acetate:hexanes (1:1), washed with 1N NaOH, dried (Na2SO4), filtered through a silica plug, and the filtrate was concentrated under reduced pressure. The residue, triethylamine (14.2 mL, 102 mmol), and PdCl2(PPh3)2 (0.944 g, 1.34 mmol) were combined in methanol (7.00 mL, 173 mmol) and DMF (100 mL) and saturated with carbon monoxide gas (bubbling 15 minutes). The mixture was heated at 80° C. under a carbon monoxide atmosphere (1 atm) overnight. The mixture was concentrated to half volume, diluted with diethyl ether, washed with water, brine, dried (Na2SO4), filtered, and the filtrate was concentrated under reduced pressure. The residue was purified by flash chromatography (6% ethyl acetate/hexanes) to provide the title compound.

Aufarbeitung

  1. stirringstirred for 1 hour
  2. concentrationconcentrated under reduced pressure
  3. additionThe residue was diluted with ethyl acetate:hexanes (1:1)
  4. washwashed with 1N NaOH
  5. dry with materialdried (Na2SO4)
  6. filtrationfiltered through a silica plug
  7. concentrationthe filtrate was concentrated under reduced pressure
  8. concentrationThe mixture was concentrated to half volume
  9. additiondiluted with diethyl ether
  10. washwashed with water, brine
  11. dry with materialdried (Na2SO4)
  12. filtrationfiltered
  13. concentrationthe filtrate was concentrated under reduced pressure
  14. customThe residue was purified by flash chromatography (6% ethyl acetate/hexanes)

Quellen und Nachweise

ORD-Eintrag
ord-b602bba1299042368083582d15cfbf12
Quelldatensatz
uspto-grants-2006_10
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07129235B2

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