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Methane, dichloromethoxy- → 3-Bromo-2-fluoro-4-methoxybenzaldehyde

HRID 1632025
Notes
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Reaction equation

HRID 1632025 reaction equation
[Br:1][C:2]1[C:7]([O:8][CH3:9])=[CH:6][CH:5]=[CH:4][C:3]=1[F:10].[CH3:11][O:12]C(Cl)Cl>[Ti](Cl)(Cl)(Cl)Cl.ClCCl>[Br:1][C:2]1[C:3]([F:10])=[C:4]([CH:5]=[CH:6][C:7]=1[O:8][CH3:9])[CH:11]=[O:12]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 2

HCID 21004Methane, dichloromethoxy-HCID 27793182-Bromo-3-fluoroanisole

Product 1

HCID 577037373-Bromo-2-fluoro-4-methoxybenzaldehydeYield 74%

Reagents, catalysts & solvents 2

HCID 24193Titanium TetrachlorideCatalystHCID 6344DichloromethaneSolvent

Procedure

In a 3-necked 250 mL round-bottomed flask equipped with nitrogen lines and a stir bar was placed 2-bromo-1-fluoro-3-methoxy-benzene (I-29, 2.0 g, 9.75 mmol) and dichloromethane (48 mL). The solution was cooled in an ice water bath for 15 minutes and then titanium tetrachloride (5.02 mL, 45.8 mmol) and dichloromethyl methyl ether (1.32 mL, 14.6 mmol) were added and the reaction mixture was allowed to warm to room temperature and react for 2 hours. The reaction mixture was slowly added to ice water (250 mL) and extracted with dichloromethane (2×100 mL). The organic portions were combined, washed with a saturated sodium bicarbonate solution (75 mL), water (75 mL) and brine (75 mL), dried (MgSO4) and concentrated. The crude material was triturated with hexanes (15 mL) to produce 1.67 g of 3-bromo-2-fluoro-4-methoxy-benzaldehyde (I-30) as an off-white solid in 74% yield. MS (ESI+): 233.2 (M+)

Workup

  1. customIn a 3-necked 250 mL round-bottomed flask equipped with nitrogen lines and a stir bar
  2. temperatureThe solution was cooled in an ice water bath for 15 minutes
  3. customreact for 2 hours
  4. extractionextracted with dichloromethane (2×100 mL)
  5. washwashed with a saturated sodium bicarbonate solution (75 mL), water (75 mL) and brine (75 mL)
  6. dry with materialdried (MgSO4)
  7. concentrationconcentrated
  8. customThe crude material was triturated with hexanes (15 mL)

Sources & evidence

ORD record
ord-3036185e85674ea3bc8190418d6ed12d
Source dataset
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08791267B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes