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CAS 898764-00-6

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

Description:
Ethyl 2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxobenzenehexanoate, identified by its CAS number 898764-00-6, is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group, a pyrrole moiety, and a hexanoate chain. This compound typically exhibits properties associated with both esters and heterocycles, such as moderate solubility in organic solvents and potential reactivity due to the presence of the pyrrole ring. The ethyl ester component suggests it may have a fruity or sweet odor, common to many esters. Its molecular structure indicates potential applications in pharmaceuticals or as an intermediate in organic synthesis, particularly in the development of biologically active compounds. Additionally, the presence of the pyrrole ring may impart unique electronic properties, making it of interest in materials science or medicinal chemistry. As with many organic compounds, safety data should be consulted to understand its handling, storage, and potential hazards.
Formula:C19H25NO3
InChI:InChI=1S/C19H25NO3/c1-2-23-19(22)12-6-5-11-18(21)17-10-4-3-9-16(17)15-20-13-7-8-14-20/h3-4,7-10H,2,5-6,11-15H2,1H3
InChI key:InChIKey=CAJOLWKDLOQWFX-UHFFFAOYSA-N
SMILES:C(C1=C(C(CCCCC(OCC)=O)=O)C=CC=C1)N2CC=CC2
Synonyms:
  • Ethyl 2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxobenzenehexanoate
  • Benzenehexanoic acid, 2-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxo-, ethyl ester
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