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Potassium Carbonate → N'-hydroxy-1-methyl-5-nitro-1H-pyrazole-3-carboximidamide

HRID 1748753
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1748753
[CH3:1][N:2]1[C:6]([N+:7]([O-:9])=[O:8])=[CH:5][C:4]([C:10]#[N:11])=[N:3]1.Cl.[NH2:13][OH:14].C(=O)([O-])[O-].[K+].[K+]>CCO>[OH:14][N:13]=[C:10]([C:4]1[CH:5]=[C:6]([N+:7]([O-:9])=[O:8])[N:2]([CH3:1])[N:3]=1)[NH2:11]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 11430Potassium CarbonateHCID 443297Hydroxyamine hydrochlorideHCID 508967171-methyl-5-nitro-1H-pyrazole-3-carbonitrile

Produkt 1

HCID 136348433N'-hydroxy-1-methyl-5-nitro-1H-pyrazole-3-carboximidamideAusbeute 67 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 702EthanolLösungsmittel

Versuchsvorschrift

To a solution of 1-methyl-5-nitro-1H-pyrazole-3-carbonitrile (2.4 g, 15.8 mmol, Princeton) and hydroxylamine hydrochloride (3.29 g, 47.3 mmol) in EtOH (0.50 mL) was added potassium carbonate (10.9 g, 79 mmol) and the mixture was refluxed for about 2 h. The reaction mixture was filtered hot and the collected solid was rinsed with EtOH (50 mL) and then MeOH (100 mL). The filtrate was concentrated under reduced pressure. The crude material was partitioned between DCM (40 mL) and water (20 mL). The aqueous layer was acidified to about pH 2 using 1 N HCl and back extracted with DCM (20 mL). The aqueous layer was basified using saturated NaHCO3 and the precipitate was collected by vacuum filtration and dried to afford N′-hydroxy-1-methyl-5-nitro-1H-pyrazole-3-carboximidamide (1.24 g, 4.49 mmol, 67%). LC-MS (Table 1, Method g) Rt=1.07 min, m/z 186 (M+H)+. 1H-NMR (DMSO-d6, Bruker 400 MHz) δ 9.78 (s, 1H), 7.22 (s, 1H), 5.71 (s, 2H), 4.16 (s, 3H).

Aufarbeitung

  1. temperaturethe mixture was refluxed for about 2 h
  2. filtrationThe reaction mixture was filtered hot
  3. washthe collected solid was rinsed with EtOH (50 mL)
  4. concentrationThe filtrate was concentrated under reduced pressure
  5. customThe crude material was partitioned between DCM (40 mL) and water (20 mL)
  6. extractionback extracted with DCM (20 mL)
  7. filtrationthe precipitate was collected by vacuum filtration
  8. customdried

Quellen und Nachweise

ORD-Eintrag
ord-0b48984199de4a0694894b0d151c1a8d
Quelldatensatz
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09150592B2

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