StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

Acetic Acid → 4-[(2S,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile

HRID 1173698
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1173698
[CH:1](NC(C)C)(C)C.[OH:8][C@H:9]1[CH2:13][C:12](=[O:14])[N:11]([C:15]2[CH:22]=[CH:21][C:18]([C:19]#[N:20])=[C:17]([C:23]([F:26])([F:25])[F:24])[CH:16]=2)[C@H:10]1[CH3:27].IC.C(O)(=O)C>C1COCC1.O>[OH:8][C@H:9]1[C@H:13]([CH3:1])[C:12](=[O:14])[N:11]([C:15]2[CH:22]=[CH:21][C:18]([C:19]#[N:20])=[C:17]([C:23]([F:26])([F:24])[F:25])[CH:16]=2)[C@H:10]1[CH3:27]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 176Acetic AcidHCID 6328Methyl iodideHCID 7912DiisopropylamineHCID 595569424-[(2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Produkt 1

HCID 595568694-[(2S,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrileAusbeute 63,7 %

Reagenzien, Katalysatoren, Lösungsmittel

2
HCID 962WaterLösungsmittelHCID 8028TetrahydrofuranLösungsmittel2×

Reaktionsbedingungen

Temperatur
-78 °C

Versuchsvorschrift

A solution of diisopropylamine (0.860 mL) in THF (30 mL) was cooled to −78° C., and n-butyllithium-hexane solution (3.64 mL, 1.6 mol/L) was added dropwise. After the completion of the dropwise addition, the mixture was stirred at −78° C. for 1 hr. Subsequently, a solution of 4-[(2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile (661 mg) in THF (5.0 mL) was added dropwise, and the mixture was further stirred at −78° C. for 1 hr. Iodomethane (0.75 mL) was added dropwise at −78° C., and the mixture was further stirred at −78° C. for 1 hr. Acetic acid (3.0 mL) was added to the reaction mixture, and the mixture was warmed to room temperature. Water was added, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=10/1→1/3) to give the title compound as a colorless solid (yield: 442.9 mg, 63.7%).

Aufarbeitung

  1. additionn-butyllithium-hexane solution (3.64 mL, 1.6 mol/L) was added dropwise
  2. additionAfter the completion of the dropwise addition
  3. stirringthe mixture was further stirred at −78° C. for 1 hr
  4. stirringthe mixture was further stirred at −78° C. for 1 hr
  5. temperaturethe mixture was warmed to room temperature
  6. extractionthe mixture was extracted with ethyl acetate
  7. washThe extract was washed with saturated brine
  8. dry with materialdried over anhydrous magnesium sulfate
  9. concentrationconcentrated under reduced pressure
  10. customThe residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=10/1→1/3)

Quellen und Nachweise

ORD-Eintrag
ord-03ccf5c68d3c47c3a90b62fbf830a323
Quelldatensatz
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07834051B2

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion