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CAS 898749-82-1

:

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

Description:
Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxobenzeneheptanoate, identified by its CAS number 898749-82-1, is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group, a pyrrole moiety, and a benzene ring with a ketone substituent. This compound is likely to exhibit moderate to high lipophilicity due to the presence of the aromatic and aliphatic components, which can influence its solubility in organic solvents. The pyrrole ring may contribute to its reactivity and potential biological activity, as pyrrole derivatives are often found in various natural products and pharmaceuticals. Additionally, the ester functional group suggests that it could undergo hydrolysis under acidic or basic conditions, leading to the release of the corresponding carboxylic acid and alcohol. Overall, the unique combination of functional groups in this compound may impart interesting chemical properties and potential applications in medicinal chemistry or material science, although specific biological or pharmacological data would require further investigation.
Formula:C20H27NO3
InChI:InChI=1S/C20H27NO3/c1-2-24-20(23)12-5-3-4-11-19(22)18-10-8-9-17(15-18)16-21-13-6-7-14-21/h6-10,15H,2-5,11-14,16H2,1H3
InChI key:InChIKey=FKTYJRUTJNVVTD-UHFFFAOYSA-N
SMILES:C(C1=CC(C(CCCCCC(OCC)=O)=O)=CC=C1)N2CC=CC2
Synonyms:
  • Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxobenzeneheptanoate
  • Benzeneheptanoic acid, 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxo-, ethyl ester
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