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Aniline → 6-Bromo-N-phenylhexanamide

HRID 1393632
Notes
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Reaction equation

HRID 1393632 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7](Cl)=[O:8].[NH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1>C1COCC1>[C:11]1([NH:10][C:7](=[O:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][Br:1])[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 6115AnilineHCID 898486-Bromohexanoyl chloride

Product 1

HCID 199195666-Bromo-N-phenylhexanamide

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent2×

Procedure

To a solution of 6-bromohexanoyl chloride (1.00 mL, 6.53 mmol) in THF (35 mL) at 0° C. was added dropwise a solution of aniline (0.60 mL, 6.53 mmol) and TEA (1.09 mL, 7.84 mmol) in THF (5 mL). The reaction mixture was allowed to warm to ambient temperature and stirred for 2 h. The mixture was filtered, the solids rinsed with EtOAc, and the filtrate reduced under vacuum. The residue was partitioned between H2O (15 mL) and EtOAc (20 mL) and the layers separated. The aqueous portion was extracted with EtOAc (3×10 mL) and the organic layers combined, washed with HCl (1 N), brine, dried over MgSO4, and filtered. Concentration under reduced pressure left a brown oil which was passed through a plug of silica gel (30% EtOAc/hexanes) under aspiration. Concentration under reduced pressure left 67 as a solid (1.55 g, 5.74 mmol, 88%). TLC Rf 0.36 (25% EtOAc/hexanes); 1H-NMR (400 MHz, DMSO-d6) δ 9.85 (s, 1H), 7.57 (d, 2H), 7.27 (t, 2H), 7.01 (t, 1H), 3.53 (t, 2H), 2.30 (t, 2H), 1.81 (t, 2H), 1.63 (m, 2H), 1.42 (m, 2H); MS (ESI+) calcd for C12H16BrNO 268+270, found 269+271 [M+H]+.

Workup

  1. filtrationThe mixture was filtered
  2. washthe solids rinsed with EtOAc
  3. customThe residue was partitioned between H2O (15 mL) and EtOAc (20 mL)
  4. customthe layers separated
  5. extractionThe aqueous portion was extracted with EtOAc (3×10 mL)
  6. washwashed with HCl (1 N), brine
  7. dry with materialdried over MgSO4
  8. filtrationfiltered
  9. concentrationConcentration under reduced pressure
  10. waitleft a brown oil which
  11. concentrationConcentration under reduced pressure

Sources & evidence

ORD record
ord-0f49ba2e46c944e6b46bbb8db5bad1b5
Source dataset
uspto-grants-2008_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07345174B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes