CAS 898758-89-9

Ethyl 4-methoxy-3-nitro-γ-oxobenzenebutanoate

Description:

Ethyl 4-methoxy-3-nitro-γ-oxobenzenebutanoate, identified by its CAS number 898758-89-9, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group, a methoxy group, and a nitro substituent on a benzene ring. This compound typically exhibits properties associated with esters, such as being a liquid at room temperature and having a pleasant, fruity odor. The presence of the nitro group contributes to its potential reactivity, making it a candidate for various chemical reactions, including nucleophilic substitutions. The methoxy group can influence the compound's solubility and polarity, affecting its interactions in different solvents. Additionally, the γ-oxobenzenebutanoate structure suggests that it may participate in condensation reactions or serve as a precursor in synthetic organic chemistry. Overall, this compound's unique functional groups and structural features make it of interest in both academic research and potential applications in pharmaceuticals or agrochemicals.

Formula: C₁₃H₁₅NO₆

InChI: InChI=1/C13H15NO6/c1-3-20-13(16)7-5-11(15)9-4-6-12(19-2)10(8-9)14(17)18/h4,6,8H,3,5,7H2,1-2H3

InChI key: InChIKey=ZWCYYJDMELCTCR-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(OC)C=CC(C(CCC(OCC)=O)=O)=C1

Synonyms:

• Benzenebutanoic acid, 4-methoxy-3-nitro-γ-oxo-, ethyl ester
• Ethyl 4-methoxy-3-nitro-γ-oxobenzenebutanoate