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Ammonium Hydroxide → HCID 59853585, Verbindung

HRID 1177039
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1177039
[Cl-].[NH4+:2].[OH-].[NH4+].[CH3:5][O:6][C:7]([C:9]1[NH:10][CH:11]=[C:12]([C:14]#[N:15])[CH:13]=1)=[O:8].[H-].[Na+].NCl>C(OCC)C.CN(C)C=O>[CH3:5][O:6][C:7]([C:9]1[N:10]([NH2:2])[CH:11]=[C:12]([C:14]#[N:15])[CH:13]=1)=[O:8]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 14923Ammonium HydroxideHCID 24758Sodium hydrideHCID 25423MonochloramineHCID 25517Ammonium ChlorideHCID 109864094-CYANO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER

Produkt 1

HCID 59853585HCID 59853585, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 3283Diethyl EtherLösungsmittel2×HCID 6228DimethylformamideLösungsmittel

Reaktionsbedingungen

Temperatur
-5 °C

Versuchsvorschrift

Solid ammonium chloride (5.8 g, 109.4 mmol) was suspended in diethyl ether (300 mL) and the suspension was cooled to −5° C. To this were added 29.56% aqueous ammonium hydroxide solution (16 mL) and 6.15% aqueous bleach solution (“Chlorox”, 240 mL) over a period of 15 min. The mixture was stirred for 30 min at −5° C. and then the layers were separated. The organic layer was washed with brine, filtered over sodium sulfate and stored over solid calcium chloride at −5° C. 4-Cyano-1H-pyrrole-2-carboxylic acid methyl ester (Example 15a, 1.09 g, 7.265 mmol) was dissolved in N,N-dimethylformamide (30 mL) and a 60% dispersion of sodium hydride in mineral oil (0.378 g, 9.445 mmol) was added. After stirring for 1 h at 25° C., the above ˜0.36 M solution of monochloramine in ether (26 mL, 9.445 mmol) was added and stirred for 2 h at 25° C. The reaction was quenched with saturated aqueous sodium thiosulfate solution followed by water. The layers were separated and the aqueous layer was extracted with diethyl ether. The combined organic layers were dried over sodium sulfate, filtered and concentrated in vacuo to afford the crude desired product, 1-amino-4-cyano-1H-pyrrole-2-carboxylic acid methyl ester, which was used in the next step without further purification. 1H NMR (400 MHz, CDCl3) δ: 3.88 (3H, s), 5.67 (2H, bs), 7.07 (1H, d, J=1.7 Hz), 7.37 (1H, d, J=1.7 Hz).

Aufarbeitung

  1. customthe layers were separated
  2. washThe organic layer was washed with brine
  3. filtrationfiltered over sodium sulfate
  4. customstored over solid calcium chloride at −5° C
  5. stirringAfter stirring for 1 h at 25° C.
  6. stirringstirred for 2 h at 25° C
  7. customThe reaction was quenched with saturated aqueous sodium thiosulfate solution
  8. customThe layers were separated
  9. extractionthe aqueous layer was extracted with diethyl ether
  10. dry with materialThe combined organic layers were dried over sodium sulfate
  11. filtrationfiltered
  12. concentrationconcentrated in vacuo

Quellen und Nachweise

ORD-Eintrag
ord-88df910971444cdca61879008650788c
Quelldatensatz
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07842838B2

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