Methyl 2-amino-4,5-difluorobenzoate Chemical Properties

Boiling point:

274.1±40.0 °C(Predicted)

Density 

1.355±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Inert atmosphere,2-8°C

pka

1.33±0.10(Predicted)

form 

Solid

color 

White

InChI

InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3

InChIKey

VIAQNTRKUPBQKR-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(F)=C(F)C=C1N

Safety Information

HS Code 

2916399090

Methyl 2-amino-4,5-difluorobenzoate Usage And Synthesis

Synthesis

Step 3: Methyl 4,5-difluoro-2-nitrobenzoate (23.0 g, 106 mmol) was dissolved in EtOAc (200 mL) and 10% Pd/C catalyst (wet, 50% water content, 6.0 g) was added. The reaction mixture was placed in a Parr hydrogenation reactor and the reaction was oscillated at 50 PSI hydrogen pressure for 3 hours. Upon completion of the reaction, the catalyst was removed by filtration through a diatomaceous earth pad, and the filtrate was concentrated by rotary evaporation to afford methyl 2-amino-4,5-difluorobenzoate (1c) as a colorless solid with a yield of 19.0 g in 96% yield.

References

[1] Patent: WO2008/36843, 2008, A2. Location in patent: Page/Page column 33

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