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Sodium Hydroxide → 1-(3-Chloro-4-fluorophenyl)-2-(5-trifluoromethyl-2-pyridinyl)ethanone oxime

HRID 354244
Notes
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Reaction equation

HRID 354244 reaction equation
[H-].[Na+].Cl[C:4]1[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][N:5]=1.[CH3:14][C:15]([C:17]1[CH:22]=[CH:21][C:20]([F:23])=[C:19]([Cl:24])[CH:18]=1)=O.[OH-:25].[Na+].Cl.[NH2:28]O>COCCOC.O.CO>[Cl:24][C:19]1[CH:18]=[C:17]([C:15](=[N:28][OH:25])[CH2:14][C:4]2[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][N:5]=2)[CH:22]=[CH:21][C:20]=1[F:23]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 5

HCID 14798Sodium HydroxideHCID 24758Sodium hydrideHCID 923422-Chloro-5-(trifluoromethyl)pyridineHCID 443297Hydroxyamine hydrochlorideHCID 5204223'-Chloro-4'-fluoroacetophenone

Product 1

HCID 865902131-(3-Chloro-4-fluorophenyl)-2-(5-trifluoromethyl-2-pyridinyl)ethanone oxime
Yield 85%

Reagents, catalysts & solvents 3

HCID 887MethanolSolventHCID 962WaterSolventHCID 80711,2-DimethoxyethaneSolvent2×

Procedure

A reaction vessel was charged with sodium hydride (as a 60% oil dispersion, 7.2 g, 180 mmol), DME (60 ml) and 2-chloro-5-trifluoromethylpyridine (10 g, 55.1 mmol). 3-Chloro-4-fluoroacetophenone (9.8 g, 56.9 mmol) in DME (20 ml) was added in portions to the mixture under nitrogen at room temperature. The mixture was stirred at ambient temperature for one hour then at 40-45° C. overnight. Upon the completion of the reaction, the mixture was cooled to 5° C. and 10% aqueous sodium hydroxide solution (30 ml) was slowly added to the reaction mixture followed by methanol (60 ml) then hydroxylamine hydrochloride (19.1 g, 357 mmol). The mixture was heated to 72° C. for 4 hours then cooled and diluted with water (1500 ml) with stirring. The resulting solid was removed by filtration and dried under vacuum. It was then slurried in cyclohexane (100 ml) then filtered, washing with further cyclohexane. The crude solid was purified by dissolution in diethylether (50 ml) and passage through silica gel, washing with further diethylether. Concentration of the filtrate afforded 15.56 g (85%) of the title compound.

Workup

  1. customat 40-45° C.
  2. customovernight
  3. customUpon the completion of the reaction
  4. temperaturethe mixture was cooled to 5° C.
  5. temperatureThe mixture was heated to 72° C. for 4 hours
  6. temperaturethen cooled
  7. stirringwith stirring
  8. customThe resulting solid was removed by filtration
  9. customdried under vacuum
  10. filtrationthen filtered
  11. washwashing with further cyclohexane
  12. customThe crude solid was purified by dissolution in diethylether (50 ml)
  13. washpassage through silica gel, washing with further diethylether

Sources & evidence

ORD record
ord-b65037779cf043629dc981608af032ea
Source dataset
uspto-grants-2004_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06756498B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes