Hydrochloric Acid → 2-Chloro-4,6-difluorobenzothiazole

HRID 30882

Reaktionsgleichung

Reaktionsgleichung von HRID 30882
N(OCCC(C)C)=O.[F:9][C:10]1[C:15]2[N:16]=[C:17](N)[S:18][C:14]=2[CH:13]=[C:12]([F:20])[CH:11]=1.[ClH:21]>C(#N)C.[Cu](Cl)Cl>[Cl:21][C:17]1[S:18][C:14]2[CH:13]=[C:12]([F:20])[CH:11]=[C:10]([F:9])[C:15]=2[N:16]=1

Komponenten

6

Versuchsvorschrift

To a solution containing copper chloride (II) (0.87 g, 6.45 mmol) and tri(ethylene glycol)dimethyl ether (3 mL) in acetonitrile (50 mL) was added isoamyl nitrite (0.94 g, 8.06 mmol), and the reaction mixture was stirred at rt for 30 minutes. To this suspension was added dropwise a solution of 4,6-difluoro-1,3-benzothiazol-2-amine (1.0 g, 5.37 mmol) in tri(ethylene glycol)dimethyl ether (5 mL). The reaction mixture was stirred at rt for 10 minutes, and then heated at 50° C. for 2.5 h. The reaction mixture was cooled to rt, and then poured cautiously into cold aqueous 6 M HCl (200 mL). The solution was extracted with EtOAc. The organic layer was washed with HCl (1.0 M), water and brine, filtered and concentrated down to afford 2-chloro-4,6-difluoro-1,3-benzothiazole (1.1 g, 99%). 1H NMR (400 MHz, DMSO-d6) 7.05 (m, 1H), 7.36 (m, 1H).

Aufarbeitung

  1. stirringThe reaction mixture was stirred at rt for 10 minutes
  2. temperatureheated at 50° C. for 2.5 h
  3. temperatureThe reaction mixture was cooled to rt
  4. extractionThe solution was extracted with EtOAc
  5. washThe organic layer was washed with HCl (1.0 M), water and brine
  6. filtrationfiltered
  7. concentrationconcentrated down

Quellen und Nachweise

ORD-Eintrag
ord-425330d436ba47a0a6060aba17c12e07
Quelldatensatz
uspto-grants-2008_09
Patentnummer
US07423156B2

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