CAS 95399-97-6

2-Butenoic acid, 3-amino-4-fluoro-, methyl ester

Description:

2-Butenoic acid, 3-amino-4-fluoro-, methyl ester, with the CAS number 95399-97-6, is an organic compound characterized by its functional groups, including an amino group, a fluoro substituent, and an ester moiety. This compound features a butenoic acid backbone, which indicates the presence of a double bond in the carbon chain, contributing to its reactivity and potential for various chemical transformations. The amino group introduces basic properties and potential for hydrogen bonding, while the fluoro substituent can enhance lipophilicity and influence the compound's biological activity. As a methyl ester, it is likely to exhibit lower polarity compared to its acid counterpart, affecting its solubility in organic solvents. The compound's structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Its specific characteristics, such as melting point, boiling point, and reactivity, would depend on the molecular interactions and the environment in which it is studied. Safety data and handling precautions should be consulted due to the presence of reactive functional groups.

Formula: C₅H₈FNO₂

InChI: InChI=1S/C5H8FNO2/c1-9-5(8)2-4(7)3-6/h2H,3,7H2,1H3

InChI key: InChIKey=FHKBJKAOJUUUET-UHFFFAOYSA-N

SMILES: C(=C(CF)N)C(OC)=O

Synonyms:

• Methyl 3-amino-4-fluoro-2-butenoate
• 2-Butenoic acid, 3-amino-4-fluoro-, methyl ester