CAS 1251950-59-0

1,3-Diethyl 2-(4-fluoro-5-methyl-2-nitrophenyl)propanedioate

Description:

1,3-Diethyl 2-(4-fluoro-5-methyl-2-nitrophenyl)propanedioate is an organic compound characterized by its complex structure, which includes a propanedioate backbone with two ethyl groups and a substituted aromatic ring. The presence of a nitro group and a fluorine atom on the aromatic ring contributes to its unique chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. This compound is likely to exhibit moderate to high polarity due to the presence of the nitro and ester functional groups, influencing its solubility in polar solvents. Additionally, the presence of the ethyl groups may enhance its lipophilicity, affecting its biological activity and interaction with cellular membranes. The compound's stability and reactivity can be influenced by the electron-withdrawing effects of the nitro and fluoro substituents, which may also play a role in its potential as a synthetic intermediate or in medicinal chemistry. Overall, 1,3-Diethyl 2-(4-fluoro-5-methyl-2-nitrophenyl)propanedioate presents a fascinating example of a multifunctional organic molecule with diverse chemical properties.

Formula: C₁₄H₁₆FNO₆

InChI: InChI=1S/C14H16FNO6/c1-4-21-13(17)12(14(18)22-5-2)9-6-8(3)10(15)7-11(9)16(19)20/h6-7,12H,4-5H2,1-3H3

InChI key: InChIKey=KSDRMZDNRDAPQV-UHFFFAOYSA-N

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

Synonyms:

• 1,3-Diethyl 2-(4-fluoro-5-methyl-2-nitrophenyl)propanedioate
• Propanedioic acid, 2-(4-fluoro-5-methyl-2-nitrophenyl)-, 1,3-diethyl ester