ChemicalBook--->CAS DataBase List--->207346-42-7

207346-42-7

207346-42-7 Structure

207346-42-7 Structure
IdentificationBack Directory
[Name]

Methyl 2-amino-4,5-difluorobenzoate
[CAS]

207346-42-7
[Synonyms]

Methyl 2-amino-4,5-d
Methyl 2-amino-4,5-difluo
ETHYL2-AMINO-4,5-DIFLUOROBENZOATE
Methyl 2-amino-4,5-difluorobenzoate
Methyl2-amino-4,5-difluorobenzoate,98%
Methyl 2-amino-4,5-difluorobenzoate USP/EP/BP
Benzoic acid, 2-amino-4,5-difluoro-, methyl ester
Benzoic acid, 2-amino-4,5-difluoro-, methyl ester (9CI)
2-aMino-4,5-difluoro-benzoic acid,Methyl ester, Methyl 4,5-difluoroanthranilate, 2-aMino-4,5-difluoro-benzoic acid, Methyl ester, Methyl 2-aMino-4,5-difluorobenzoate
[Molecular Formula]

C8H7F2NO2
[MDL Number]

MFCD09264511
[MOL File]

207346-42-7.mol
[Molecular Weight]

187.14
Chemical PropertiesBack Directory
[Boiling point ]

274.1±40.0 °C(Predicted)
[density ]

1.355±0.06 g/cm3(Predicted)
[storage temp. ]

Room temperature.
[form ]

Solid
[pka]

1.33±0.10(Predicted)
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-amino-4,5-difluorobenzoate(207346-42-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

4,5-DIFLUORO-2-NITROBENZOIC ACID METHYL ESTER

1015433-96-1

Methyl 2-amino-4,5-difluorobenzoate

207346-42-7

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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