CAS 898763-96-7

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

Description:

Ethyl 2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-γ-oxobenzenebutanoate, identified by its CAS number 898763-96-7, is a chemical compound that features a complex structure combining elements of both pyrrole and benzoate functionalities. This compound typically exhibits characteristics such as moderate solubility in organic solvents, which is common for esters and amines. Its molecular structure suggests potential biological activity, possibly due to the presence of the pyrrole ring, which is known for its role in various natural products and pharmaceuticals. The γ-oxobenzenebutanoate moiety may contribute to its reactivity and interaction with biological systems. Additionally, the ethyl ester group can influence its lipophilicity and permeability, making it of interest in medicinal chemistry. The compound's stability, reactivity, and potential applications would depend on specific conditions such as pH, temperature, and the presence of other reagents. Overall, this compound represents a unique blend of organic functional groups that may be explored for various chemical and biological applications.

Formula: C₁₇H₂₁NO₃

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

InChI key: InChIKey=KJMOZDPCFAAFPX-UHFFFAOYSA-N

SMILES: C(CCC(OCC)=O)(=O)C1=C(CN2CC=CC2)C=CC=C1

Synonyms:

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

ethyl 4-oxo-4-[2-(3-pyrrolinomethyl)phenyl]butyrate

CAS: 898763-96-7

Formula: C₁₇H₂₁NO₃

Purity: 97.0%

Molecular weight: 287.359

Ref: 10-F205560