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Nitric Acid → 5-Hydroxy-2-methyl-4-nitrobenzonitrile

HRID 1968979
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1968979
[OH:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:10])=[C:6]([CH:9]=1)[C:7]#[N:8].[N+:11]([O-])([OH:13])=[O:12].O>C(Cl)Cl>[OH:1][C:2]1[C:3]([N+:11]([O-:13])=[O:12])=[CH:4][C:5]([CH3:10])=[C:6]([CH:9]=1)[C:7]#[N:8]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 944Nitric AcidHCID 962WaterHCID 594440865-Hydroxy-2-methylbenzonitrile

Produkt 1

HCID 594441745-Hydroxy-2-methyl-4-nitrobenzonitrileAusbeute 29,2 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6344DichloromethaneLösungsmittel

Versuchsvorschrift

5-Hydroxy-2-methylbenzonitrile (D90, 475 mg, 3.57 mmol) was dissolved in DCM (5 mL) and 70% nitric acid (1 mL, 22 mmol) was added dropwise to the reaction. The mixture was stirred for 45 min before the addition of H2O (15 mL). The two phases were separated and the aqueous phase was extracted with DCM (2×). The combined organics were dried (Na2SO4) and concentrated by rotary evaporation to give a yellow solid. The crude residues were purified by flash column chromatography (silica, 10% EtOAc/90% iso-hexane to 50% EtOAc/50% iso-hexane) to give 5-hydroxy-2-methyl-4-nitrobenzonitrile (D91, 186 mg, 26%) as a yellow solid.

Aufarbeitung

  1. customThe two phases were separated
  2. extractionthe aqueous phase was extracted with DCM (2×)
  3. dry with materialThe combined organics were dried (Na2SO4)
  4. concentrationconcentrated by rotary evaporation
  5. customto give a yellow solid
  6. customThe crude residues were purified by flash column chromatography (silica, 10% EtOAc/90% iso-hexane to 50% EtOAc/50% iso-hexane)

Quellen und Nachweise

ORD-Eintrag
ord-f6ee7599085a43ceaa15b45a747096eb
Quelldatensatz
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08426443B2

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