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Triethylamine → HCID 178422990, Verbindung

HRID 1276118
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1276118
[Cl:1][C:2]1[C:10]([C:11]2[CH2:15][CH:14]([CH3:16])[O:13][N:12]=2)=[C:9]([S:17]([CH3:20])(=[O:19])=[O:18])[CH:8]=[CH:7][C:3]=1[C:4](Cl)=[O:5].C(N(CC)CC)C.[OH:28][C:29]1[N:33]([CH3:34])[N:32]=[CH:31][CH:30]=1.C(=O)([O-])[O-].[K+].[K+]>O1CCOCC1>[Cl:1][C:2]1[C:10]([C:11]2[CH2:15][CH:14]([CH3:16])[O:13][N:12]=2)=[C:9]([S:17]([CH3:20])(=[O:19])=[O:18])[CH:8]=[CH:7][C:3]=1[C:4]([C:30]1[CH:31]=[N:32][N:33]([CH3:34])[C:29]=1[OH:28])=[O:5]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 8471TriethylamineHCID 11430Potassium Carbonate2×HCID 221149032-Chloro-3-(5-methyl-4,5-dihydroisoxazol-3-yl)-4-methylsulfonylbenzoyl chlorideHCID 178481816HCID 178481816, Verbindung

Produkt 1

HCID 178422990HCID 178422990, VerbindungAusbeute 34 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 312751,4-DioxaneLösungsmittel3×

Versuchsvorschrift

At room temperature, initially 4.00 g (12 mmol) of 2-chloro-3-(5-methyl-4,5-dihydroisoxazol-3-yl)-4-methylsulfonylbenzoyl chloride in 50 ml of dioxane and then 1.20 g (12.2 mmol) of triethylamine in 30 ml of dioxane were added dropwise to a solution of 1.20 g (12 mmol) of 5-hydroxy-1-methylpyrazole in 30 ml of dioxane. The reaction mixture was stirred for 12 hours and then filtered through silica gel and the filtrate was admixed with 0.50 g (3.6 mmol) of potassium carbonate and heated under reflux for 12 hours. After a further 12 hours of stirring at room temperature, a spatula tipful of potassium carbonate was added, and the mixture was once again heated under reflux. After cooling, the solvent was distilled off under reduced pressure, the residue was taken up in water and washed with ethyl acetate, the pH was adjusted to 1-2 using 10% strength hydrochloric acid and the mixture was extracted repeatedly with ethyl acetate. The combined organic phases were washed with water and dried and the solvent was removed. The residue was digested in cold ethyl acetate. 1.60 g (34% of theory) of 4-[2-chloro-3-(5-methyl-4,5-dihydroisoxazol-3-yl)-4-methylsulfonylbenzoyl]-5-hydroxy-1-methyl-1H-pyrazole were obtained.

Aufarbeitung

  1. filtrationfiltered through silica gel
  2. temperatureheated
  3. temperatureunder reflux for 12 hours
  4. stirringAfter a further 12 hours of stirring at room temperature
  5. temperaturethe mixture was once again heated
  6. temperatureunder reflux
  7. temperatureAfter cooling
  8. distillationthe solvent was distilled off under reduced pressure
  9. washwashed with ethyl acetate
  10. extractionthe mixture was extracted repeatedly with ethyl acetate
  11. washThe combined organic phases were washed with water
  12. customdried
  13. customthe solvent was removed

Quellen und Nachweise

ORD-Eintrag
ord-7d73fb361d7d46c6b6a85a64308afcbc
Quelldatensatz
uspto-grants-2000_12
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06165944

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