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Sulfuric Acid → 2,4-Difluoro-6-nitrophenol

HRID 892283
Notes
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Reaction equation

HRID 892283 reaction equation
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[OH:9].[N+:10]([O-])([O:12]C(C)C)=[O:11].S(=O)(=O)(O)O>ClCCl.S([O-])(O)(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[C:4]([N+:10]([O-:12])=[O:11])[C:3]=1[OH:9]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 1118Sulfuric AcidHCID 15575Isopropyl nitrateHCID 1230512,4-Difluorophenol

Product 1

HCID 2230832,4-Difluoro-6-nitrophenolYield 83.4%

Reagents, catalysts & solvents 2

HCID 94433Tetrabutylammonium hydrogen sulfateCatalyst
HCID 6344
Dichloromethane
Solvent

Procedure

To a stirred solution of 2,4-difluorophenol (0.65 g, 5 mmol) in dichloromethane (7 mL) at room temperature was added tetrabutylammoniumhydrogen sulphate (0.085 g, 5 mol %) followed by isopropyl nitrate (1.31 g, 12.5 mmol). Sulphuric acid (96%, 0.65 mL) was then added dropwise to the mixture causing gentle reflux of the solvent. The reaction mixture was then stirred for fifteen minutes and then poured onto water (50 mL). The phases were separated and the aqueous phase was extracted by dichloromethane (10 mL). The combined organic layers were washed by brine, dried over anhydrous sodium sulphate and filtered through a short pad of silica gel. Evaporation of the solvent (40° C., water aspirator pressure) afforded a yellow solid, identified by NMR as the title compound (0.73 g, 83%). (ortho-selectivity 100%, no nitro-isomers detected).

Workup

  1. temperaturecausing gentle reflux of the solvent
  2. additionpoured onto water (50 mL)
  3. customThe phases were separated
  4. extractionthe aqueous phase was extracted by dichloromethane (10 mL)
  5. washThe combined organic layers were washed by brine
  6. dry with materialdried over anhydrous sodium sulphate
  7. filtrationfiltered through a short pad of silica gel
  8. customEvaporation of the solvent (40° C., water aspirator pressure)
  9. customafforded a yellow solid

Sources & evidence

ORD record
ord-e4ecf4c2599a401a839076fdfcb59bf2
Source dataset
uspto-grants-2006_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07005553B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes