CAS 1261955-74-1

4′-Ethyl 5-chloro-3′-fluoro[1,1′-biphenyl]-2,4′-dicarboxylate

Description:

4′-Ethyl 5-chloro-3′-fluoro[1,1′-biphenyl]-2,4′-dicarboxylate is an organic compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. This compound features an ethyl group at the para position of one phenyl ring, a chlorine atom at the meta position, and a fluorine atom at the ortho position relative to the ethyl group. Additionally, it contains two carboxylate ester functional groups at the 2 and 4′ positions, contributing to its reactivity and potential applications in various chemical processes. The presence of halogen substituents (chlorine and fluorine) often enhances the compound's biological activity and lipophilicity, making it of interest in pharmaceuticals and agrochemicals. Its molecular structure suggests potential for interactions in biological systems, and it may exhibit unique physical properties such as solubility and melting point, influenced by the substituents and their spatial arrangement. Overall, this compound represents a complex structure with diverse potential applications in synthetic chemistry and material science.

Formula: C₁₆H₁₂ClFO₄

InChI: InChI=1S/C16H12ClFO4/c1-2-22-16(21)12-5-3-9(7-14(12)18)13-8-10(17)4-6-11(13)15(19)20/h3-8H,2H2,1H3,(H,19,20)

InChI key: InChIKey=XLKWOLXAKFAXAM-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C=C(Cl)C=C1)C2=CC(F)=C(C(OCC)=O)C=C2

Synonyms:

• [1,1′-Biphenyl]-2,4′-dicarboxylic acid, 5-chloro-3′-fluoro-, 4′-ethyl ester
• 4′-Ethyl 5-chloro-3′-fluoro[1,1′-biphenyl]-2,4′-dicarboxylate