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2-Methyl-1-butene → (S)-2-methyl-3-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-propionic acid

HRID 511116
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 511116
[CH3:1][C@@H:2]([CH2:5][N:6]1[CH2:11][CH2:10][N:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:14][CH:13]=2)[CH2:8][CH2:7]1)[CH:3]=[O:4].P([O-])(O)(O)=[O:23].[Na+].CC(CC)=C.Cl([O-])=O.[Na+]>C(O)(C)(C)C.O>[CH3:1][C@@H:2]([CH2:5][N:6]1[CH2:11][CH2:10][N:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]([F:19])([F:21])[F:20])=[CH:14][CH:13]=2)[CH2:8][CH2:7]1)[C:3]([OH:23])=[O:4]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 112402-Methyl-1-buteneHCID 23668197Sodium ChloriteHCID 23672064Monosodium phosphateHCID 58576376(S)-2-methyl-3-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-propionaldehyde

Produkt 1

HCID 58576422(S)-2-methyl-3-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-propionic acid

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 962WaterLösungsmittel
HCID 6386tert-ButanolLösungsmittel

Versuchsvorschrift

(S)-2-Methyl-3-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-propionaldehyde (1.99 g; 6.6 mmol, prepared in accordance with Example 66) is suspended in a mixture of tert-butanol (48 mL) and water (12 mL); sodium dihydrogenphosphate (1.59 g; 13.3 mmol) and 2-methyl-butene (13.94 g; 199 mmol) are added and the resulting mixture is stirred until a solution is obtained. Sodium chlorite (1.12 g; 9.9 mmol) is added and the reaction is stirred at room temperature for one hour. The precipitate formed is filtered, is washed with water and is dried at 40° C. under 3 mbar. Aqueous sat ammonium chloride (50 mL) is added to the filtrate which is then extracted with dichloromethane (2×50 mL). The combined organic layers are washed with brine (50 mL) and concentrated under reduced pressure. The residue obtained is dried at 40° C. under 3 mbar. The enantiopure product is obtained as colourless solid (1.3 g; 4.1 mmol).

Aufarbeitung

  1. customis obtained
  2. stirringthe reaction is stirred at room temperature for one hour
  3. customThe precipitate formed
  4. filtrationis filtered
  5. washis washed with water
  6. customis dried at 40° C. under 3 mbar
  7. additionis added to the filtrate which
  8. extractionis then extracted with dichloromethane (2×50 mL)
  9. washThe combined organic layers are washed with brine (50 mL)
  10. concentrationconcentrated under reduced pressure
  11. customThe residue obtained
  12. customis dried at 40° C. under 3 mbar
  13. customThe enantiopure product is obtained as colourless solid (1.3 g; 4.1 mmol)

Quellen und Nachweise

ORD-Eintrag
ord-13fb1e16d1894bcbb2bacbb075e312af
Quelldatensatz
uspto-grants-2015_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09096524B2

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