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N-bromobutanimide → HCID 87765226, compound

HRID 1396303
Notes
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Reaction equation

HRID 1396303 reaction equation
[CH3:1][N:2]([CH3:19])[C:3]1[S:14][C@@H:13]2[C@@H:5]([C@@H:6]3[C@@H:10]([C@@H:11]([CH2:15][OH:16])[O:12]2)[O:9][C:8]([CH3:18])([CH3:17])[O:7]3)[N:4]=1.C(=O)(O)[O-].[K+].BrN1C(=O)CCC1=O>ClCCl.O.[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH3:1][N:2]([CH3:19])[C:3]1[S:14][C@@H:13]2[C@@H:5]([C@@H:6]3[C@@H:10]([C@@H:11]([CH:15]=[O:16])[O:12]2)[O:9][C:8]([CH3:17])([CH3:18])[O:7]3)[N:4]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 3

HCID 67184N-bromobutanimideHCID 516893Potassium BicarbonateHCID 69280848HCID 69280848, compound

Product 1

HCID 87765226HCID 87765226, compoundYield 61.6%

Reagents, catalysts & solvents 3

HCID 74236Tetrabutylammonium BromideCatalyst
HCID 962
Water
Solvent
HCID 6344DichloromethaneSolvent

Procedure

To a solution of 156 (500 mg, 1.7 mmol) in dichloromethane (20 mL) and water (5 mL) was added 2,2,6,6-tetramethylpiperidinooxy (13 mg, 0.08 mmol), tetrabutylammonium bromide (27 mg, 0.08 mmol), potassium bicarbonate (788 mg, 7.9 mmol) and N-bromosuccinimide (342 mg, 1.9 mmol). The resulting solution was stirred for 30 minutes at room temperature, before the reaction was quenched by the addition of saturated aqueous sodium sulfite solution (10 mL), which was then extracted with dichloromethane (2×10 mL). The combined organic layer was washed with brine (2×10 mL), dried over sodium sulfate, filtered and concentrated under vacuum. The crude residue was purified by flash column chromatography with 10% ethyl acetate in dichloromethane to afford 157 as an off-white solid (300 mg, 54%). (ES, m/z): [M+H]+ 287.0; 1H NMR (300 MHz, CDCl3) δ 9.82 (s, 1H), 6.34 (d, J=6.0 Hz, 1H), 4.37-4.32 (m, 1H), 4.11-4.05 (m, 1H), 3.94-3.82 (m, 1H), 3.61-3.54 (m, 1H), 3.36-3.23 (m, 1H), 3.08 (s, 6H), 1.46 (s, 6H).

Workup

  1. customwas quenched by the addition of saturated aqueous sodium sulfite solution (10 mL), which
  2. extractionwas then extracted with dichloromethane (2×10 mL)
  3. washThe combined organic layer was washed with brine (2×10 mL)
  4. dry with materialdried over sodium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated under vacuum
  7. customThe crude residue was purified by flash column chromatography with 10% ethyl acetate in dichloromethane

Sources & evidence

ORD record
ord-69c06328b3894222a7fcd787b8737c89
Source dataset
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08901087B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes