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Water → 4-Bromo-3'-fluoro-4'-methoxybenzophenone

HRID 1716041
Notes
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Reaction equation

HRID 1716041 reaction equation
[F:1][C:2]1[CH:7]=[C:6](Br)[CH:5]=[CH:4][C:3]=1[O:9][CH3:10].C([Li])CCC.[Br:16][C:17]1[CH:28]=[CH:27][C:20]([C:21](N(C)OC)=[O:22])=[CH:19][CH:18]=1.O>C1COCC1>[Br:16][C:17]1[CH:28]=[CH:27][C:20]([C:21]([C:6]2[CH:5]=[CH:4][C:3]([O:9][CH3:10])=[C:2]([F:1])[CH:7]=2)=[O:22])=[CH:19][CH:18]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 962WaterHCID 753784-Bromo-2-fluoroanisoleHCID 109992524-Bromo-N-methoxy-N-methylbenzamideHCID 178418339Butyllithium

Product 1

HCID 27569834-Bromo-3'-fluoro-4'-methoxybenzophenoneYield 51.4%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent
2×

Conditions

Temperature
-20 °C

Procedure

To a stirred solution of 2-fluoro-4-bromoanisole (3.03 g, 14.8 mmol) in anhydrous THF (100 mL) was added n-butyllithium (1.6 M in hexanes, 10.2 mL, 16.3 mol) dropwise at −78° C. The reaction mixture was stirred for 1 h and 80 (4.02 g, 16.3 mmol) dissolved in THF (20 mL) was added dropwise. The reaction mixture was warmed to −20° C. over 1 h, water (100 mL) was added, and the volatiles were removed under reduced pressure. The mixture was extracted with ether (3×100 mL) and the combined extracts were washed with water (100 mL) and brine (100 mL). The mixture was dried over MgSO4 and concentrated. The residue was chromatographed on silica gel (20:1 to 5:1 hexanes:EtOAc) to afford 2.35 g (51%) of 81 as a white crystalline solid. 1H NMR (400 MHz, CDCl3): δ 3.97 (s, 3H), 7.01 (t, J=8.4 Hz, 1H), 7.55-7.62 (m, 6H).

Workup

  1. additionwas added dropwise
  2. customthe volatiles were removed under reduced pressure
  3. extractionThe mixture was extracted with ether (3×100 mL)
  4. washthe combined extracts were washed with water (100 mL) and brine (100 mL)
  5. dry with materialThe mixture was dried over MgSO4
  6. concentrationconcentrated
  7. customThe residue was chromatographed on silica gel (20:1 to 5:1 hexanes:EtOAc)

Sources & evidence

ORD record
ord-b9b4b55840ac4ae1861159d3ed4ef3dc
Source dataset
uspto-grants-2010_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07799828B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes