methyl 2-amino-4,5-difluorobenzoate
$400.00
CAS No.: 207346-42-7
Catalog No.: 196646
Purity: 95%
MF: C8H7F2NO2
MW: 187.145
Storage: 2-8 degree Celsius
SMILES: NC1=C(C(=O)OC)C=C(C(=C1)F)F
Catalog No.: 196646
Purity: 95%
MF: C8H7F2NO2
MW: 187.145
Storage: 2-8 degree Celsius
SMILES: NC1=C(C(=O)OC)C=C(C(=C1)F)F
methyl 2-amino-4,5-difluorobenzoate; CAS No.: 207346-42-7; methyl 2-amino-4,5-difluorobenzoate. PROPERTIES: This difluoro-substituted amino methyl ester features molecular formula C8H7F2NO2 with molecular weight 191.14 g/mol. It generally appears as white crystalline powder, exhibiting characteristic ester and amine reactivity. The compound demonstrates solubility in polar aprotic solvents like ethyl acetate and dichloromethane, while being sparingly soluble in water. Its melting point ranges between 85-89 C, and it exhibits IR absorption bands corresponding to the ester group (~1750 cm??) and amine N-H groups (~3400-3200 cm??). Thermogravimetric analysis indicates decomposition onset above 180 C under nitrogen atmosphere. For optimal stability, methyl 2-amino-4,5-difluorobenzoate should be stored at 2-8 C in tightly sealed containers with desiccant, protected from light. The compound may cause mild skin irritation and serious eye damage; therefore, standard laboratory safety precautions including protective clothing and eye protection are recommended during handling. APPLICATIONS: As a fluorinated amino ester, methyl 2-amino-4,5-difluorobenzoate is predominantly utilized in the synthesis of matrix metalloproteinase (MMP) inhibitors. It serves as key intermediate in constructing the hydroxamate portion of these inhibitors, where the amine group undergoes acylation to form the characteristic hydroxamic acid functionality as demonstrated in medicinal chemistry research (Journal of Medicinal Chemistry). Additionally, the compound participates in the preparation of fluorescent probes for bioimaging applications, where its ester functionality enables conjugation to biomolecules via enzymatic hydrolysis (Bioconjugate Chemistry). In materials science, it functions as monomer for preparing polyurethane foams with enhanced thermal stability, where the fluorine substituents contribute to improved flame retardancy (Polymer International). Furthermore, the compound serves as building block in the synthesis of agrochemicals, where its amino ester and fluorine groups provide valuable bioactivity against plant pathogens (Pest Management Science).
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