CAS 898749-80-9

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

Description:

Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxobenzenehexanoate, with the CAS number 898749-80-9, is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group and a pyrrole moiety. This compound features a benzene ring substituted with a hexanoate chain, contributing to its lipophilicity and potential biological activity. The presence of the pyrrole ring suggests possible interactions with biological systems, as pyrrole derivatives are often associated with various pharmacological properties. The compound is likely to exhibit moderate solubility in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the hexanoate chain. Its molecular structure indicates potential applications in medicinal chemistry, particularly in drug design and development, where such compounds can serve as lead structures for further modification. Safety and handling precautions should be observed, as with any chemical substance, to mitigate risks associated with exposure.

Formula: C₁₉H₂₅NO₃

InChI: InChI=1S/C19H25NO3/c1-2-23-19(22)11-4-3-10-18(21)17-9-7-8-16(14-17)15-20-12-5-6-13-20/h5-9,14H,2-4,10-13,15H2,1H3

InChI key: InChIKey=JMCOZVLCUCVXOB-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxobenzenehexanoate
• Benzenehexanoic acid, 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxo-, ethyl ester

Ethyl 6-oxo-6-[3-(3-pyrrolinomethyl)phenyl]hexanoate

CAS: 898749-80-9

Formula: C₁₉H₂₅NO₃

Purity: 97.0%

Molecular weight: 315.413

Ref: 10-F205108