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2-Methyl-2-butene → 4-(2,2-Difluoroethoxy)benzoic acid

HRID 1799254
Notes
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Reaction equation

HRID 1799254 reaction equation
[F:1][CH:2]([F:13])[CH2:3][O:4][C:5]1[CH:12]=[CH:11][C:8]([CH:9]=[O:10])=[CH:7][CH:6]=1.O.O.P([O-])(O)(O)=[O:17].[Na+].CC(=CC)C.Cl([O-])=O.[Na+].[Cl-].[NH4+]>C(O)(C)(C)C.O>[F:1][CH:2]([F:13])[CH2:3][O:4][C:5]1[CH:12]=[CH:11][C:8]([C:9]([OH:17])=[O:10])=[CH:7][CH:6]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 105532-Methyl-2-butene2×HCID 25517Ammonium ChlorideHCID 194362024-(2,2-Difluoroethoxy)benzaldehydeHCID 23668197Sodium Chlorite2×HCID 23673460Sodium Phosphate, Monobasic, Dihydrate

Product 1

HCID 196227744-(2,2-Difluoroethoxy)benzoic acid
Yield 100%

Reagents, catalysts & solvents 2

HCID 962WaterSolventHCID 6386tert-ButanolSolvent

Procedure

4-(2,2-Difluoroethoxy)benzaldehyde (2.50 g, 13.4 mmol) prepared in Example 13 (13a) was dissolved in a solution mixture of tert-butanol:water (28 mL, 22:6, V/V). Then, to the resulting mixture were added sodium dihydrogen phosphate dihydrate (2.10 g, 13.4 mmol), 2-methyl-2-butene (6.26 mL, 59.1 mmol), and sodium chlorite (4.25 g, 37.6 mmol). The mixture was stirred at room temperature for 4 hours, and then 2-methyl-2-butene (2.85 mL, 26.9 mmol) and sodium chlorite (1.52 g, 13.4 mmol) were further added thereto. The resulting mixture was further stirred at room temperature for 20 hours, and then a saturated ammonium chloride aqueous solution was added to the reaction solution to terminate the reaction. The resulting mixture was extracted with ethyl acetate, and the organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was evaporated to give 2.71 g of the title compound (white solid, yield: quantitative).

Workup

  1. stirringThe resulting mixture was further stirred at room temperature for 20 hours
  2. customto terminate
  3. customthe reaction
  4. extractionThe resulting mixture was extracted with ethyl acetate
  5. washthe organic layer was washed with saturated brine
  6. dry with materialdried over anhydrous sodium sulfate
  7. customThe solvent was evaporated

Sources & evidence

ORD record
ord-cbde1c087ec74f8ba41115beb62c9153
Source dataset
uspto-grants-2013_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08344029B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes