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Hydrochloric Acid → 2,3-Dihydro-5-nitro-1H-indazol-3-one

HRID 921003
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 921003
O.[NH2:2][NH2:3].Cl[C:5]1[CH:13]=[CH:12][C:11]([N+:14]([O-:16])=[O:15])=[CH:10][C:6]=1[C:7](O)=[O:8].Cl>C(O)C>[N+:14]([C:11]1[CH:10]=[C:6]2[C:5](=[CH:13][CH:12]=1)[NH:3][NH:2][C:7]2=[O:8])([O-:16])=[O:15]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 313Hydrochloric AcidHCID 172872-Chloro-5-nitrobenzoic acidHCID 24654Hydrazine hydrate (1:1)

Produkt 1

HCID 53746612,3-Dihydro-5-nitro-1H-indazol-3-oneAusbeute 45 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 702EthanolLösungsmittel

Reaktionsbedingungen

Temperatur
0 °C

Versuchsvorschrift

Hydrazine hydrate (4 mL, 124 mmol) was added to a solution of 2-chloro-5-nitro benzoic acid (5 g, 24.8 mmol) in absolute ethanol (30 mL), and the resulting mixture was refluxed for 16 h. The reaction mixture was concentrated under reduced pressure. Residue was trituated with methanol to give 6.5 g of crude intermediate. 2N aq. HCl (40 mL) was added to the crude product, and the mixture was refluxed for 8 h. Reaction mixture was cooled to 0° C., solids were collected via filtration, washed with cold water and dried under vacuum. Residue was purified by flash chromatography using 1% methanol in chloroform as eluent to afford title compound (2 g, 27%) as a solid. 1H NMR (400 MHz, DMSO-d6): δ 12.4 (bs, 1H), 11.3 (bs, 1H), 8.67 (s, 1H), 8.12 (dd, J1=2.1 Hz, J2=9.0 Hz, 1H), 7.5 (d, J=9.0 Hz, 1H); ESI-MS m/z: 179 (M+H)+.

Aufarbeitung

  1. temperaturethe resulting mixture was refluxed for 16 h
  2. concentrationThe reaction mixture was concentrated under reduced pressure
  3. customto give 6.5 g of crude intermediate
  4. temperaturethe mixture was refluxed for 8 h
  5. customReaction mixture
  6. filtrationsolids were collected via filtration
  7. washwashed with cold water
  8. customdried under vacuum
  9. customResidue was purified by flash chromatography

Quellen und Nachweise

ORD-Eintrag
ord-ccbdc0472c1a41ec8fb9c907f86a65f7
Quelldatensatz
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09273069B2

Notizen zur Reaktion

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