CAS 1227268-89-4

Ethyl 4-[(2,2-dimethyl-1-oxopropyl)amino]-2,6-difluorobenzoate

Description:

Ethyl 4-[(2,2-dimethyl-1-oxopropyl)amino]-2,6-difluorobenzoate, identified by its CAS number 1227268-89-4, is a chemical compound characterized by its complex structure, which includes a benzoate moiety substituted with fluorine atoms and an amino group. This compound features a difluorobenzene ring, which enhances its reactivity and potential applications in various chemical reactions. The presence of the ethyl ester group contributes to its solubility in organic solvents, making it suitable for various synthetic processes. The dimethyl-1-oxopropyl substituent introduces steric hindrance, which may influence its biological activity and interaction with other molecules. Such compounds are often investigated for their potential pharmaceutical applications, particularly in drug design, due to their ability to interact with biological targets. Additionally, the fluorine atoms can impart unique electronic properties, affecting the compound's stability and reactivity. Overall, this substance exemplifies the intricate balance of structural features that can dictate its chemical behavior and potential utility in research and industry.

Formula: C₁₄H₁₇F₂NO₃

InChI: InChI=1S/C14H17F2NO3/c1-5-20-12(18)11-9(15)6-8(7-10(11)16)17-13(19)14(2,3)4/h6-7H,5H2,1-4H3,(H,17,19)

InChI key: InChIKey=HPHYDTSBGQIJDH-UHFFFAOYSA-N

SMILES: N(C(C(C)(C)C)=O)C1=CC(F)=C(C(OCC)=O)C(F)=C1

Synonyms:

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