Water → 2-Fluoro-6-hydroxybenzonitrile
Reaction equation
[F:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([O:10]C)[C:3]=1[C:4]#[N:5].Cl.[NH+]1C=CC=CC=1.O>C(OC)(C)(C)C>[F:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([OH:10])[C:3]=1[C:4]#[N:5]Participants
Reactant 3
Product 1
Reagents, catalysts & solvents 1
Conditions
- Temperature
- 190 °C
Procedure
151 g (1 mol) of 2-fluoro-6-methoxybenzonitrile and 346.5 g (3 mol) of pyridinium hydrochloride were introduced into a 2 l flask and then slowly heated to 190° C. under a protective gas atmosphere and then stirred at this temperature for 5 h. The mixture was cooled by slowly stirring to room temperature overnight. Then 1000 ml of water were added, and the mixture was heated to 80° C. After adding 1000 ml of methyl tert.-butyl ether, the phases were separated and the aqueous phase was back-extracted twice with 500 ml of methyl tert.-butyl ether. The combined methyl tert.-butyl ether phases were washed once with 800 ml of 10% strength aqueous sodium hydroxide solution and once with 400 ml of water. The two aqueous phases were combined, adjusted to pH 2 with concentrated hydrochloric acid and washed three times with 500 ml of methylene chloride. Then, the combined organic phases were washed once with 10% strength hydrochloric acid. The organic phase was dried over sodium sulfate. Finally, the solvent was distilled off in vacuo. Yield: 120 g (87% of theory) of the desired product of purity >99% according to GC.
Workup
- temperatureThe mixture was cooled
- stirringby slowly stirring to room temperature overnight
- temperaturethe mixture was heated to 80° C
- customthe phases were separated
- extractionthe aqueous phase was back-extracted twice with 500 ml of methyl tert.-butyl ether
- washThe combined methyl tert.-butyl ether phases were washed once with 800 ml of 10% strength aqueous sodium hydroxide solution and once with 400 ml of water
- washwashed three times with 500 ml of methylene chloride
- washThen, the combined organic phases were washed once with 10% strength hydrochloric acid
- dry with materialThe organic phase was dried over sodium sulfate
- distillationFinally, the solvent was distilled off in vacuo
Sources & evidence
- ORD record
- ord-df25eda1945c4a25925a1aa7eb1fe7c0
- Source dataset
- uspto-grants-2009_07
- Patent number
- US07563921B2
Reaction notes
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