Reaktionsgleichung
[CH3:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][C:3]=1[C:11]([F:14])([F:13])[F:12].S(Cl)(Cl)=O.[NH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1O.C(N(C(C)C)CC)(C)C.C1(C)C=CC(S(O)(=O)=O)=CC=1>C1COCC1.C1(C)C=CC=CC=1>[CH3:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]2[O:8][C:21]3[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=3[N:19]=2)=[CH:4][C:3]=1[C:11]([F:14])([F:13])[F:12]Komponenten
Edukt 5
Produkt 1
Reagenzien, Katalysatoren, Lösungsmittel 2
Versuchsvorschrift
A mixture of 4-methyl-3-(trifluoromethyl)benzoic acid (1.0 g, 4.9 mmol) and thionyl chloride (15 mL) was refluxed for 3 h and then stirred at rt overnight. The excess thionyl chloride was removed in vacuo, the residue was dissolved in THF (20 mL), and it was added to a cooled (0° C.) solution of 2-aminophenol (0.53 g, 4.9 mmol) and diisopropylethylamine (1.0 mL, 5.9 mmol) in anhydrous THF (15 mL). The resulting brownish mixture was stirred at rt for 3 h. The solvent was then removed and p-toluenesulfonic acid (3.7 g, 19.6 mmol) and toluene (20 mL) were added to the dark oil. The mixture was then refluxed for 3 h and the mixture was cooled to rt. The excess p-toluenesulfonic acid was filtered through Celite and the filtrate was evaporated to dryness. The crude was purified by flash chromatography on silica gel eluting with EtOAc:hexanes (1:9) to afford 2-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-benzoxazole as a colorless solid.
Aufarbeitung
- temperaturewas refluxed for 3 h
- customThe excess thionyl chloride was removed in vacuo
- dissolutionthe residue was dissolved in THF (20 mL)
- additionit was added to
- stirringThe resulting brownish mixture was stirred at rt for 3 h
- customThe solvent was then removed
- temperatureThe mixture was then refluxed for 3 h
- temperaturethe mixture was cooled to rt
- filtrationThe excess p-toluenesulfonic acid was filtered through Celite
- customthe filtrate was evaporated to dryness
- customThe crude was purified by flash chromatography on silica gel eluting with EtOAc:hexanes (1:9)
Quellen und Nachweise
- ORD-Eintrag
- ord-9546c37869f440218ad918dc8a6de1f1
- Quelldatensatz
- uspto-grants-2006_08
- Patentnummer
- US07087601B2
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