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CAS 170108-07-3

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Methyl 2-amino-3,4-difluorobenzoate

Description:
Methyl 2-amino-3,4-difluorobenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with both amino and difluoromethyl groups. The presence of the amino group (-NH2) indicates that it can participate in hydrogen bonding, potentially enhancing its solubility in polar solvents. The difluoromethyl substitutions at the 3 and 4 positions of the benzene ring contribute to its unique reactivity and influence its electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions. This compound is typically used in pharmaceutical research and development due to its potential biological activity. Its molecular structure suggests that it may exhibit interesting pharmacological properties, possibly acting as an intermediate in the synthesis of more complex molecules. Additionally, the fluorine atoms can enhance lipophilicity and metabolic stability, which are desirable traits in drug design. Safety and handling precautions should be observed, as with all chemical substances, particularly those with reactive functional groups.
Formula:C8H7F2NO2
InChI:InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-3-5(9)6(10)7(4)11/h2-3H,11H2,1H3
InChI key:InChIKey=MQSMXRFDHQTFDU-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N)C(F)=C(F)C=C1
Synonyms:
  • Methyl 2-amino-3,4-difluorobenzoate
  • Benzoic acid, 2-amino-3,4-difluoro-, methyl ester
  • Benzoic acid, 2-amino-3,4-difluoro-, methyl ester (9CI) USP/EP/BP
  • Benzoic acid, 2-amino-3,4-difluoro-, methyl ester (9CI)
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