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Ammonium formate → Methyl 2-amino-2-(4-fluorophenyl)acetate

HRID 989152
Notes
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Reaction equation

HRID 989152 reaction equation
Cl.[CH3:2][O:3][C:4](=[O:21])[CH:5]([NH:13]CC1C=CC=CC=1)[C:6]1[CH:11]=[CH:10][C:9]([F:12])=[CH:8][CH:7]=1.C([O-])=O.[NH4+]>C(O)(C)C.[Pd]>[CH3:2][O:3][C:4](=[O:21])[CH:5]([NH2:13])[C:6]1[CH:11]=[CH:10][C:9]([F:12])=[CH:8][CH:7]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 2

HCID 2723923Ammonium formateHCID 693609224-Fluoro-alpha-[(phenylmethyl)amino]benzeneacetic acid methyl ester hydrochloride

Product 1

HCID 10943118Methyl 2-amino-2-(4-fluorophenyl)acetateYield 87%

Reagents, catalysts & solvents 2

HCID 23938PalladiumCatalystHCID 3776IsopropanolSolvent

Conditions

Temperature
50 °C

Procedure

4-Fluoro-α-[(phenylmethyl)amino]benzeneacetic acid methyl ester hydrochloride (12.2 kg, 39.4 moles) was added to a slurry of 10% palladium-on-carbon (1.2 kg) in isopropanol (50 L). Ammonium formate (5.0 kg, 79.4 moles) was added and the batch was heated to 50° C. Progress of the reaction was monitored by HPLC. The batch was filtered through Hyflo Supercel and the filter cake was washed with isopropanol (25 L). The filtrate was evaporated to low volume and flushed with isopropyl acetate (50 L). The residue was dissolved in isopropyl acetate (30 L) and washed with 5% aqueous potassium phosphate (40 L), followed by saturated aqueous sodium chloride (10 L). The solution was evaporated under vacuum to give 5.79 kg (87% yield) of racemic α-amino-4-fluorobenzeneacetic acid methyl ester.

Workup

  1. filtrationThe batch was filtered through Hyflo Supercel
  2. washthe filter cake was washed with isopropanol (25 L)
  3. customThe filtrate was evaporated to low volume
  4. customflushed with isopropyl acetate (50 L)
  5. dissolutionThe residue was dissolved in isopropyl acetate (30 L)
  6. washwashed with 5% aqueous potassium phosphate (40 L)
  7. customThe solution was evaporated under vacuum

Sources & evidence

ORD record
ord-7a3583cc1ba04560993a9425131dc961
Source dataset
uspto-grants-2003_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06638930B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes