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Hydrogen Peroxide → 4-t-Butoxy-2,3,6-trifluoro-5-hydroxypyridine

HRID 1874
Notes
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Reaction equation

HRID 1874 reaction equation
[C:1]([O:5][C:6]1[CH:11]=[C:10]([F:12])[N:9]=[C:8]([F:13])[C:7]=1[F:14])([CH3:4])([CH3:3])[CH3:2].[Li+].CC([N-]C(C)C)C.C[O:24]B(OC)OC.OO.[OH-].[Na+]>C1COCC1.C(O)(=O)C>[C:1]([O:5][C:6]1[C:11]([OH:24])=[C:10]([F:12])[N:9]=[C:8]([F:13])[C:7]=1[F:14])([CH3:4])([CH3:2])[CH3:3]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 784Hydrogen PeroxideHCID 8470Trimethyl borateHCID 14798Sodium HydroxideHCID 2724682Lithium diisopropylamideHCID 106085474-t-Butoxy-2,3,6-trifluoropyridine

Product 1

HCID 106565874-t-Butoxy-2,3,6-trifluoro-5-hydroxypyridine

Reagents, catalysts & solvents

2
HCID 176Acetic AcidSolventHCID 8028TetrahydrofuranSolvent

Conditions

Temperature
-78 °C

Procedure

A 11.16 g (54.39 mmol) sample of 4-t-butoxy-2,3,6-trifluoropyridine, from Example 253 step b above, was dissolved in 50 mL of THF, and the solution was cooled to -78° C. To this solution was added LDA (65.6 mmol) with stirring for 30 min, during which a solid preciptated. To this mixture was added 7.5 mL of trimethoxyborane, with stirring for 25 min at -78° C. To this mixture was added 10 mL of acetic acid, and the mixture was stirred and allowed to warm to room temperature. Next was added 100 mL of 30% hydrogen peroxide and 100 mL of 2N sodium hydroxide while cooling in an ice bath. The mixture was then stirred at room temperature for 16 hours, and quenched with saturated NH4Cl solution. The mixture was extracted with ether, and the extract was washed with brine and dried over MgSO4. The solvent was removed under vacuum, and the residue was purified by flash chromatography on silica gel, eluting with 1:8 ethyl acetate:hexane. Removal of the solvent gave 9.769 g of the title product as a colorless liquid.

Workup

  1. stirringwith stirring for 25 min at -78° C
  2. stirringthe mixture was stirred
  3. temperatureto warm to room temperature
  4. temperaturewhile cooling in an ice bath
  5. stirringThe mixture was then stirred at room temperature for 16 hours
  6. customquenched with saturated NH4Cl solution
  7. extractionThe mixture was extracted with ether
  8. washthe extract was washed with brine
  9. dry with materialdried over MgSO4
  10. customThe solvent was removed under vacuum
  11. customthe residue was purified by flash chromatography on silica gel
  12. washeluting with 1:8 ethyl acetate
  13. customRemoval of the solvent

Sources & evidence

ORD record
ord-c191750ca7b54fdb8dafaf0853defb9d
Source dataset
uspto-grants-1998_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05726182

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes