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(4-Nitrophenyl)acetic acid → 1-(4-Nitrophenyl)propan-2-one

HRID 23250
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 23250
[C:1](OCC)(=O)CC([O-])=O.[Cl-].[Al+3].[Cl-].[Cl-].S(Cl)(Cl)=O.[N+:18]([C:21]1[CH:26]=[CH:25][C:24]([CH2:27][C:28]([OH:30])=O)=[CH:23][CH:22]=1)([O-:20])=[O:19]>O.COC(C)(C)C.ClCCl>[N+:18]([C:21]1[CH:22]=[CH:23][C:24]([CH2:27][C:28](=[O:30])[CH3:1])=[CH:25][CH:26]=1)([O-:20])=[O:19]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 4

HCID 4661(4-Nitrophenyl)acetic acidHCID 24386Thionyl ChlorideHCID 3595298Propanedioic acid, monoethyl esterHCID 6451240Aluminum(III) Chloride

Produkt 1

HCID 2193671-(4-Nitrophenyl)propan-2-oneAusbeute 52 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 962
Water
Lösungsmittel
HCID 6344DichloromethaneLösungsmittel
HCID 15413tert-Butyl methyl etherLösungsmittel

Reaktionsbedingungen

Temperatur
72.5 °C

Versuchsvorschrift

Dichloromethane (3 ml) and ethyl malonate (1.31 g, 8.15 mmol) were added to aluminium chloride (1.10 g, 8.28 mmol) (hereinafter, abbreviated as Solution B). Thionyl chloride (1.58 g, 13.25 mmol) was added to 4-nitrophenylacetic acid (1.00 g, 5.52 mol), followed by stirring at 70-75° C. for 45 minutes. Thionyl chloride was distilled off under reduced pressure, followed by azeotropy with toluene (3 ml) twice. Dichloromethane (3 ml) was added to the azeotropic residue to dissolve the residue, which was added to Solution B dropwise. After stirred for 7 hours under reflux, the reaction solution was cooled to room temperature and poured into water (10 ml). The layers were separated, and the aqueous layer was extracted with dichloromethane (3 ml). The organic layers were combined, and the solvent was distilled off under reduced pressure. After the solvent was distilled off, acetic acid (1.7 ml), water (1.1 ml) and concentrated sulfuric acid (0.21 ml) were added thereto, which was refluxed at an external temperature of 125° C. for 4 hours while stirring vigorously. After completion of the reaction, the mixture was ice-cooled, returned to room temperature, and t-butyl methyl ether (6 ml) and water (6 ml) were added thereto, followed by extraction. After the organic layer was washed with an aqueous saturated sodium hydrogen carbonate solution (6 ml) twice and brine (6 ml) twice, the solvent was distilled off under reduced pressure, and the residue was purified by silica gel column chromatography to give 4-nitrophenylacetone (0.51 g, 2.87 mmol, 52%).

Aufarbeitung

  1. distillationThionyl chloride was distilled off under reduced pressure
  2. additionDichloromethane (3 ml) was added to the azeotropic residue
  3. dissolutionto dissolve the residue, which
  4. additionwas added to Solution B dropwise
  5. stirringAfter stirred for 7 hours
  6. temperatureunder reflux
  7. temperaturethe reaction solution was cooled to room temperature
  8. additionpoured into water (10 ml)
  9. customThe layers were separated
  10. extractionthe aqueous layer was extracted with dichloromethane (3 ml)
  11. distillationthe solvent was distilled off under reduced pressure
  12. distillationAfter the solvent was distilled off
  13. additionacetic acid (1.7 ml), water (1.1 ml) and concentrated sulfuric acid (0.21 ml) were added
  14. temperaturewhich was refluxed at an external temperature of 125° C. for 4 hours
  15. stirringwhile stirring vigorously
  16. customAfter completion of the reaction
  17. temperaturecooled
  18. customreturned to room temperature
  19. extractionfollowed by extraction
  20. washAfter the organic layer was washed with an aqueous saturated sodium hydrogen carbonate solution (6 ml) twice
  21. distillationbrine (6 ml) twice, the solvent was distilled off under reduced pressure
  22. customthe residue was purified by silica gel column chromatography

Quellen und Nachweise

ORD-Eintrag
ord-8d48c8d503d84a29b2cc1623fb97d3d0
Quelldatensatz
uspto-grants-2005_02
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06849738B2

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