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Nitromethane → 4-(4-Fluoro-phenoxy)-1-(2-nitro-ethyl)-benzene

HRID 1891850
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1891850
[F:1][C:2]1[CH:16]=[CH:15][C:5]([O:6][C:7]2[CH:14]=[CH:13][C:10]([CH:11]=O)=[CH:9][CH:8]=2)=[CH:4][CH:3]=1.[N+:17]([CH3:20])([O-:19])=[O:18].C([O-])(=O)C.[NH4+].[BH4-].[Na+]>O.C(O)(=O)C.CS(C)=O.C(OCC)(=O)C>[F:1][C:2]1[CH:16]=[CH:15][C:5]([O:6][C:7]2[CH:14]=[CH:13][C:10]([CH2:11][CH2:20][N+:17]([O-:19])=[O:18])=[CH:9][CH:8]=2)=[CH:4][CH:3]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 4

HCID 6375NitromethaneHCID 517165Ammonium AcetateHCID 38568024-(4-Fluorophenoxy)benzaldehydeHCID 4311764Sodium borohydride

Produkt 1

HCID 592551204-(4-Fluoro-phenoxy)-1-(2-nitro-ethyl)-benzeneAusbeute 52,6 %

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 176
Acetic Acid
Lösungsmittel
2×
HCID 679Dimethyl SulfoxideLösungsmittel
HCID 962WaterLösungsmittel2×
HCID 8857Ethyl AcetateLösungsmittel

Reaktionsbedingungen

Temperatur
110 °C

Versuchsvorschrift

To an acetic acid (30.0 mL) solution of 4-(4-fluoro-phenoxy)-benzaldehyde (3.00 g, 48.4 mmol) described in Manufacturing Example 141-1-1 were added nitromethane (4.03 g, 66.0 mmol) and ammonium acetate (2.03 g, 26.4 mmol) under nitrogen atmosphere at room temperature, which was stirred for 4 hours at 110° C. Water and ethyl acetate were added to the reaction mixture, which was extracted with ethyl acetate. The organic layer was washed with water and a saturated aqueous sodium chloride, dried over anhydrous magnesium sulfate, and filtered. The filtrate was concentrated under a reduced pressure, which gave a crude product (3.4 g). To a dimethyl sulfoxide (30.0 mL) solution of this crude product (3.4 g) and acetic acid (3.00 mL) was added sodium borohydride (793 mg, 21.0 mmol) at room temperature while cooling appropriately, which was stirred for 30 minutes at room temperature. Water was then added dropwise at room temperature while cooling appropriately. The reaction mixture was extracted with ethyl acetate, and the organic layer was washed with water and saturated aqueous sodium chloride, dried over anhydrous magnesium sulfate, and filtered. The filtrate was concentrated under reduced pressure, and the residue was purified by NH silica gel column chromatography (ethyl acetate:heptane=1:3→1:1) to obtain the title compound (1.80 g, 52.6%).

Aufarbeitung

  1. extractionwas extracted with ethyl acetate
  2. washThe organic layer was washed with water
  3. dry with materiala saturated aqueous sodium chloride, dried over anhydrous magnesium sulfate
  4. filtrationfiltered
  5. concentrationThe filtrate was concentrated under a reduced pressure, which
  6. customgave a crude product (3.4 g)
  7. temperaturewhile cooling appropriately
  8. stirringwhich was stirred for 30 minutes at room temperature
  9. temperaturewhile cooling appropriately
  10. extractionThe reaction mixture was extracted with ethyl acetate
  11. washthe organic layer was washed with water and saturated aqueous sodium chloride
  12. dry with materialdried over anhydrous magnesium sulfate
  13. filtrationfiltered
  14. concentrationThe filtrate was concentrated under reduced pressure
  15. customthe residue was purified by NH silica gel column chromatography (ethyl acetate:heptane=1:3→1:1)

Quellen und Nachweise

ORD-Eintrag
ord-d55d59c620ac49c394a14778591ad085
Quelldatensatz
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08507530B2

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