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CAS 898764-95-9

:

Ethyl 4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxobenzeneheptanoate

Description:
Ethyl 4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxobenzeneheptanoate, identified by its CAS number 898764-95-9, 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 heptanoate chain, contributing to its hydrophobic characteristics. The presence of the pyrrole ring suggests potential biological activity, as pyrrole derivatives are often associated with various pharmacological properties. The compound's molecular structure indicates it may exhibit moderate solubility in organic solvents while being less soluble in water, typical for many esters and aromatic compounds. Its synthesis likely involves multi-step organic reactions, including esterification and functional group transformations. Due to its unique structure, this compound may be of interest in medicinal chemistry, particularly in the development of new therapeutic agents or as a building block in organic synthesis. However, specific data regarding its reactivity, stability, and biological effects would require further investigation through experimental studies.
Formula:C20H27NO3
InChI:InChI=1S/C20H27NO3/c1-2-24-20(23)9-5-3-4-8-19(22)18-12-10-17(11-13-18)16-21-14-6-7-15-21/h6-7,10-13H,2-5,8-9,14-16H2,1H3
InChI key:InChIKey=AICCLHCURZZEKV-UHFFFAOYSA-N
SMILES:C(CCCCCC(OCC)=O)(=O)C1=CC=C(CN2CC=CC2)C=C1
Synonyms:
  • Ethyl 4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxobenzeneheptanoate
  • Benzeneheptanoic acid, 4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ζ-oxo-, ethyl ester
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