CAS 1227267-12-0

Ethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-difluorobenzoate

Description:

Ethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-difluorobenzoate, identified by its CAS number 1227267-12-0, is a chemical compound that belongs to the class of benzoate esters. This substance features a benzoate moiety substituted with both fluorine atoms and an amino group, which is further modified by a dimethylethoxycarbonyl group. The presence of fluorine atoms typically enhances the compound's lipophilicity and can influence its biological activity. The ethyl ester group contributes to its solubility characteristics, making it potentially useful in various applications, including pharmaceuticals and agrochemicals. The compound's structure suggests it may exhibit interesting reactivity due to the presence of both electron-withdrawing (fluorine) and electron-donating (amino) groups, which can affect its interaction with biological targets. Overall, the unique combination of functional groups in this compound may lead to diverse chemical behavior and potential applications in medicinal chemistry or material science.

Formula: C₁₄H₁₇F₂NO₄

InChI: InChI=1S/C14H17F2NO4/c1-5-20-12(18)11-9(15)6-8(7-10(11)16)17-13(19)21-14(2,3)4/h6-7H,5H2,1-4H3,(H,17,19)

InChI key: InChIKey=FLLFCXAMQWMTJG-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(F)C=C(NC(OC(C)(C)C)=O)C=C1F

Synonyms:

• Ethyl 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-difluorobenzoate
• Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2,6-difluoro-, ethyl ester