CAS 898749-76-3

Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-γ-oxobenzenebutanoate

Description:

Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-γ-oxobenzenebutanoate, identified by its CAS number 898749-76-3, is a chemical compound that features a complex structure incorporating both an ethyl ester and a pyrrole moiety. This compound is characterized by its functional groups, including an ester group, which contributes to its reactivity and solubility properties. The presence of the pyrrole ring suggests potential biological activity, as pyrrole derivatives are often associated with various pharmacological effects. The γ-oxobenzenebutanoate structure indicates that it may participate in reactions typical of carbonyl compounds, such as nucleophilic additions. Additionally, the compound's molecular structure may influence its physical properties, such as melting point, boiling point, and solubility in different solvents. Overall, this compound's unique combination of functional groups and structural features makes it of interest in both synthetic chemistry and potential applications in medicinal chemistry. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₇H₂₁NO₃

InChI: InChI=1S/C17H21NO3/c1-2-21-17(20)9-8-16(19)15-7-5-6-14(12-15)13-18-10-3-4-11-18/h3-7,12H,2,8-11,13H2,1H3

InChI key: InChIKey=CZCVCUVJAOFYRU-UHFFFAOYSA-N

SMILES: C(C1=CC(C(CCC(OCC)=O)=O)=CC=C1)N2CC=CC2

Synonyms:

• Benzenebutanoic acid, 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-γ-oxo-, ethyl ester
• Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-γ-oxobenzenebutanoate

Ethyl 4-oxo-4-[3-(3-pyrrolinomethyl)phenyl]butyrate

CAS: 898749-76-3

Formula: C₁₇H₂₁NO₃

Purity: 97.0%

Molecular weight: 287.359

Ref: 10-F205106