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Hydrochloric Acid → HCID 57567369, Verbindung

HRID 423898
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 423898
[C:1]([C:5]1[CH:12]=[CH:11][C:10]([N+:13]([O-:15])=[O:14])=[CH:9][C:6]=1[C:7]#[N:8])([CH3:4])([CH3:3])[CH3:2].B.C1COCC1.CO.Cl>C1COCC1.O>[C:1]([C:5]1[CH:12]=[CH:11][C:10]([N+:13]([O-:15])=[O:14])=[CH:9][C:6]=1[CH2:7][NH2:8])([CH3:4])([CH3:2])[CH3:3]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 2723981Borane;tetrahydrofuranHCID 57470259HCID 57470259, Verbindung

Produkt 1

HCID 57567369HCID 57567369, VerbindungAusbeute 43 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 962
Water
Lösungsmittel
HCID 8028TetrahydrofuranLösungsmittel

Reaktionsbedingungen

Temperatur
70 °C

Versuchsvorschrift

To a solution of 2-tert-butyl-5-nitrobenzonitrile (612 mg, 3.0 mmol) in THF (10 mL) was added a solution of BH3.THF (12 mL, 1M in THF, 12.0 mmol) under nitrogen. The reaction mixture was stirred at 70° C. overnight and cooled to 0° C. Methanol (2 mL) was added followed by the addition of 1N HCl (2 mL). After refluxing for 30 min, the solution was diluted with water and extracted with EtOAc. The aqueous layer was basified with 1N NaOH and extracted with EtOAc twice. The combined organic layers were washed with brine and dried over Mg2SO4. After removal of solvent, the residue was purified by column chromatography (0-10% MeOH—CH2Cl2) to give (2-tert-butyl-5-nitrophenyl)methanamine (268 mg, 43%). 1H NMR (400 MHz, DMSO-d6) δ 8.54 (d, J=2.7 Hz, 1H), 7.99 (dd, J=8.8, 2.8 Hz, 1H), 7.58 (d, J=8.8 Hz, 1H), 4.03 (s, 2H), 2.00 (t, J=2.1 Hz, 2H), 1.40 (s, 9H); HPLC ret. time 2.05 min, 10-100% CH3CN, 5 min gradient; ESI-MS 209.3 m/z (MH+).

Aufarbeitung

  1. temperaturecooled to 0° C
  2. temperatureAfter refluxing for 30 min
  3. extractionextracted with EtOAc
  4. extractionextracted with EtOAc twice
  5. washThe combined organic layers were washed with brine
  6. dry with materialdried over Mg2SO4
  7. customAfter removal of solvent
  8. customthe residue was purified by column chromatography (0-10% MeOH—CH2Cl2)

Quellen und Nachweise

ORD-Eintrag
ord-1d53e89aba844fe8bc543d575a067bb8
Quelldatensatz
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08101767B2

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