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Potassium Carbonate → 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine

HRID 2066713
Notes
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Reaction equation

HRID 2066713 reaction equation
[CH2:1]([N:3]1[CH2:8][CH2:7][NH:6][CH2:5][CH2:4]1)[CH3:2].[F:9][C:10]1[CH:11]=[C:12]([N+:17]([O-:19])=[O:18])[CH:13]=[CH:14][C:15]=1F.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.O>[CH2:1]([N:3]1[CH2:8][CH2:7][N:6]([C:15]2[CH:14]=[CH:13][C:12]([N+:17]([O-:19])=[O:18])=[CH:11][C:10]=2[F:9])[CH2:5][CH2:4]1)[CH3:2]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 11430Potassium CarbonateHCID 791961-EthylpiperazineHCID 1230531,2-Difluoro-4-nitrobenzene

Product 1

HCID 29478391-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine

Reagents, catalysts & solvents 2

HCID 962WaterSolventHCID 6228Dimethylformamide
Solvent

Conditions

Temperature
90 °C

Procedure

N-Ethylpiperazine (0.96 mL, 7.6 mmol, 1.2 equiv) is added to a mixture of 3,4-difluoronitrobenzene (0.7 mL, 6.32 mmol) and potassium carbonate (1.74 g, 12.6 mmol, 2 equiv) in DMF (10 mL). The reaction mixture is stirred at 90° C. for 17 h, allowed to cool to RT, diluted with H2O and extracted with DCM. The organic phase is washed with brine, dried (Na2SO4), filtered and concentrated. The residue is purified by silica gel column chromatography (DCM/MeOH+1% NH3aq, 97:3) to provide the title compound as a yellow solid: ES-MS: 254.1 [MH]+; tR=2.65 min (system 1); Rf=0.30 (DCM/MeOH+1% NH3aq, 93:7).

Workup

  1. temperatureto cool to RT
  2. extractionextracted with DCM
  3. washThe organic phase is washed with brine
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customThe residue is purified by silica gel column chromatography (DCM/MeOH+1% NH3aq, 97:3)

Sources & evidence

ORD record
ord-cd7e300c79f547f3b34d7bc194656ef1
Source dataset
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08293746B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes