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Nitrogen → 1-(5-Fluoro-hexyl)-1H-pyrazol-4-ylamine

HRID 2064949
Notes
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Reaction equation

HRID 2064949 reaction equation
N#N.[F:3][CH:4]([CH3:17])[CH2:5][CH2:6][CH2:7][CH2:8][N:9]1[CH:13]=[C:12]([N+:14]([O-])=O)[CH:11]=[N:10]1.[NH4+].[Cl-]>CCO.O.[Fe]>[F:3][CH:4]([CH3:17])[CH2:5][CH2:6][CH2:7][CH2:8][N:9]1[CH:13]=[C:12]([NH2:14])[CH:11]=[N:10]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 3

HCID 947NitrogenHCID 25517Ammonium ChlorideHCID 669284931-(5-Fluoro-hexyl)-4-nitro-1H-pyrazole

Product 1

HCID 669286341-(5-Fluoro-hexyl)-1H-pyrazol-4-ylamine

Reagents, catalysts & solvents 3

HCID 23925IronCatalystHCID 702EthanolSolvent
HCID 962
Water
Solvent

Conditions

Temperature
75 °C

Procedure

In a flame dried round-bottomed flask equipped with a magnetic stir bar and under inert atmosphere (N2), a mixture of 1-(5-fluoro-hexyl)-4-nitro-1H-pyrazole (135 mg, 0.63 mmol), iron powder (106 mg, 1.88 mmol) and NH4Cl (169 mg, 3.13 mmol) in a mixture of EtOH (4.0 mL) and water (2.0 mL) was stirred at 75° C. for 40 min. The reaction mixture was filtered while hot and concentrated under reduced pressure. CH2Cl2 (10 mL) was added followed by 1M NaOH (10 mL). The aq. layer was extracted with CH2Cl2 (2×10 mL) and the combined org. extracts were dried over MgSO4, filtered, and the solvents were removed under reduced pressure to give the title compound as a red solid. LC-MS-conditions 02: tR=0.60 min.

Workup

  1. filtrationThe reaction mixture was filtered while hot and
  2. concentrationconcentrated under reduced pressure
  3. additionCH2Cl2 (10 mL) was added
  4. extractionThe aq. layer was extracted with CH2Cl2 (2×10 mL)
  5. dry with materialextracts were dried over MgSO4
  6. filtrationfiltered
  7. customthe solvents were removed under reduced pressure

Sources & evidence

ORD record
ord-257bea236fba40f886f8a1a8befffe4e
Source dataset
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08288419B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes