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Water → 3-(3-Bromo-4-fluorophenyl)-3-methylbutan-2-one

HRID 1627365
Notes
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Reaction equation

HRID 1627365 reaction equation
[Br:1][C:2]1[CH:3]=[C:4]([C:9]([CH3:14])([CH3:13])[CH:10]([OH:12])[CH3:11])[CH:5]=[CH:6][C:7]=1[F:8].C1C=C[NH+]=CC=1.[O-][Cr](Cl)(=O)=O.O>C(Cl)Cl>[Br:1][C:2]1[CH:3]=[C:4]([C:9]([CH3:14])([CH3:13])[C:10](=[O:12])[CH3:11])[CH:5]=[CH:6][C:7]=1[F:8]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 962WaterHCID 667406943-(3-Bromo-4-fluorophenyl)-3-methylbutan-2-olHCID 178418287HCID 178418287, compound

Product 1

HCID 667407993-(3-Bromo-4-fluorophenyl)-3-methylbutan-2-oneYield 73%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

To a stirred solution of 3-(3-bromo-4-fluorophenyl)-3-methylbutan-2-ol (18 g, 69 mmol) in DCM (300 mL) at 0° C. was added PCC (29.7 g, 2 eq) portionwise. After stirring 24 h at room temperature, the reaction mixture was combined with water and extracted with DCM. The combined extracts were dried over MgSO4 and evaporated in vacuo. The residue was purified by flash column chromatography (Hex/EtOAc=10:1) to give 3-(3-bromo-4-fluorophenyl)-3-methylbutan-2-one (13 g, 73%). 1H NMR (400 MHz, CDCl3) δ 7.47-7.45 (m, 1H), 7.17-7.14 (m, 1H), 7.09 (t, J=8.8 Hz, 1H), 1.98 (s, 3H), 1.45 (s, 6H).

Workup

  1. extractionextracted with DCM
  2. dry with materialThe combined extracts were dried over MgSO4
  3. customevaporated in vacuo
  4. customThe residue was purified by flash column chromatography (Hex/EtOAc=10:1)

Sources & evidence

ORD record
ord-f239cba5dbfd409d8f08072a46219f18
Source dataset
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08785488B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes