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Water → 1-Difluoromethoxy-4-((EZ)-2-methoxy-vinyl)-benzene

HRID 1992385
Notes
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Reaction equation

HRID 1992385 reaction equation
[Cl-].[CH3:2][O:3][CH2:4][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Li]CCCC.[F:29][CH:30]([F:40])[O:31][C:32]1[CH:39]=[CH:38][C:35]([CH:36]=O)=[CH:34][CH:33]=1.O>C1COCC1>[F:29][CH:30]([F:40])[O:31][C:32]1[CH:39]=[CH:38][C:35]([CH:36]=[CH:2][O:3][CH3:4])=[CH:34][CH:33]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 962WaterHCID 2723798Methoxymethyl-triphenylphosphonium chlorideHCID 2736986p-(Difluoromethoxy)benzaldehydeHCID 178418339Butyllithium

Product 1

HCID 685206391-Difluoromethoxy-4-((EZ)-2-methoxy-vinyl)-benzeneYield 53.3%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent
2×

Procedure

A suspension of methoxymethyl triphenylphosphonium chloride (6.69 g, 19.5 mmol) in THF (200 mL) was cooled to ca. −20° C. n-BuLi (2.5 M in hexanes, 7.2 mL, 18 mmol) was added in portions over 5 min and the orange-red reaction mixture was stirred for an additional 15 min. 4-difluoromethoxybenzaldehyde (2.58 g, 15.0 mmol) in THF (50 mL) was added at −10° C. and the reaction mixture was stirred at this temperature for 30 min and then at room temperature for 19 h. Water (100 mL) was added and the mixture was concentrated under reduced pressure. The remaining aqueous phase was extracted with ethyl acetate (2×100 mL) and the combined organic phase was washed with water (2×100 mL) and brine (100 mL), dried over Na2SO4, and concentrated in vacuo. The crude product was purified by three times repeated chromatography on silica gel. (Horizon™, flash system from Biotage™. Column: Flash 40+M, 40×150 mm. Eluent: 3% ethyl acetate in heptane. Combination of pure fractions and concentration in vacuo afforded 1.60 g (53%) of the title compound as a colourless oil.

Workup

  1. additionwas added in portions over 5 min
  2. stirringthe reaction mixture was stirred at this temperature for 30 min
  3. waitat room temperature for 19 h
  4. concentrationthe mixture was concentrated under reduced pressure
  5. extractionThe remaining aqueous phase was extracted with ethyl acetate (2×100 mL)
  6. washthe combined organic phase was washed with water (2×100 mL) and brine (100 mL)
  7. dry with materialdried over Na2SO4
  8. concentrationconcentrated in vacuo
  9. customThe crude product was purified by three times
  10. concentrationCombination of pure fractions and concentration in vacuo

Sources & evidence

ORD record
ord-49d06fbde30e4896b9da659f0b2a8710
Source dataset
uspto-grants-2010_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07648985B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes