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Ammonium formate → Methyl 4,5-diamino-3-fluoro-2-(phenylamino)benzoate

HRID 32040
Notes
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Reaction equation

HRID 32040 reaction equation
[CH3:1][O:2][C:3](=[O:22])[C:4]1[CH:9]=[C:8]([N+:10]([O-])=O)[C:7]([NH2:13])=[C:6]([F:14])[C:5]=1[NH:15][C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.C([O-])=O.[NH4+]>C(O)C.[OH-].[OH-].[Pd+2]>[CH3:1][O:2][C:3](=[O:22])[C:4]1[CH:9]=[C:8]([NH2:10])[C:7]([NH2:13])=[C:6]([F:14])[C:5]=1[NH:15][C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 2

HCID 2723923Ammonium formateHCID 44122658Methyl 4-amino-3-fluoro-5-nitro-2-(phenylamino)benzoate

Product 1

HCID 56604175Methyl 4,5-diamino-3-fluoro-2-(phenylamino)benzoateYield 93.3%

Reagents, catalysts & solvents 2

HCID 9942167Palladium hydroxideCatalystHCID 702EthanolSolvent

Conditions

Temperature
95 °C

Procedure

4-Amino-3-fluoro-5-nitro-2-phenylamino-benzoic acid methyl ester 26a (11.44 g, 37.48 mmol) is suspended in ethanol (400 mL) and ammonium formate (11.80 g, 187.0 mmol) and 20% Pd(OH)2/C (10.00 g, 18.79 mmol) are added. The reaction mixture is stirred at 95° C. under N2 for 30 minutes. The reaction mixture is cooled to room temperature and then filtered through celite, rinsing with ethanol. The filtrate is concentrated under reduced pressure to give 9.63 g (93%) of the pure desired product as a purple/red solid. MS ESI (+) m/z 276 (M+1) detected.

Workup

  1. temperatureThe reaction mixture is cooled to room temperature
  2. filtrationfiltered through celite
  3. washrinsing with ethanol
  4. concentrationThe filtrate is concentrated under reduced pressure

Sources & evidence

ORD record
ord-c0a5f64c19c94295a0818b51891be3a5
Source dataset
uspto-grants-2008_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07425637B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes