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Toluene → Methyl 2-fluoro-4-methylbenzoate

HRID 558943
Notes
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Reaction equation

HRID 558943 reaction equation
[F:1][C:2]1[CH:10]=[C:9]([CH3:11])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].S(Cl)(Cl)=O.[C:16]1(C)C=CC=CC=1>>[F:1][C:2]1[CH:10]=[C:9]([CH3:11])[CH:8]=[CH:7][C:3]=1[C:4]([O:6][CH3:16])=[O:5]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 1140TolueneHCID 24386Thionyl ChlorideHCID 27361452-Fluoro-4-methylbenzoic acid

Product 1

HCID 18759805Methyl 2-fluoro-4-methylbenzoate

Procedure

To a solution of 2-fluoro-4-methylbenzoic acid from Example E1 (6.04 g, 39.18 mmol) in toluene (80 ml) was added thionyl chloride (65 ml, 89.11 mmol). The mixture was heated at reflux for 2.5 h, cooled and concentrated in vacuo. The residue was dissolved in dichloromethane (50 ml) and methanol (50 ml) was added. The mixture was stirred at room temperature for 2.5 h and then concentrated in vacuo. The residue was dissolved in dichloromethane (100 ml), washed with saturated sodium bicarbonate solution and brine, dried over MgSO4, and concentrated in vacuo to give a tan solid; yield 5.07 g (77%).

Workup

  1. temperatureThe mixture was heated
  2. temperatureat reflux for 2.5 h
  3. temperaturecooled
  4. concentrationconcentrated in vacuo
  5. dissolutionThe residue was dissolved in dichloromethane (50 ml)
  6. additionmethanol (50 ml) was added
  7. concentrationconcentrated in vacuo
  8. dissolutionThe residue was dissolved in dichloromethane (100 ml)
  9. washwashed with saturated sodium bicarbonate solution and brine
  10. dry with materialdried over MgSO4
  11. concentrationconcentrated in vacuo
  12. customto give a tan solid

Sources & evidence

ORD record
ord-e3976f0df89a47b1a904453bdcddcf84
Source dataset
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08063038B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes