CAS 898771-07-8

Ethyl ε-oxo-3-(1-pyrrolidinylmethyl)benzenehexanoate

Description:

Ethyl ε-oxo-3-(1-pyrrolidinylmethyl)benzenehexanoate, with the CAS number 898771-07-8, is a chemical compound that features a complex structure combining an ethyl ester with a pyrrolidine moiety. This compound typically exhibits characteristics common to esters, such as being a colorless to pale yellow liquid with a pleasant odor. It is likely to be soluble in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the aromatic and aliphatic components. The presence of the pyrrolidine ring suggests potential biological activity, as pyrrolidine derivatives are often explored for their pharmacological properties. Additionally, the compound may participate in various chemical reactions, including esterification and nucleophilic substitutions, making it of interest in synthetic organic chemistry. Safety data would indicate that, like many organic compounds, it should be handled with care, using appropriate personal protective equipment to avoid inhalation or skin contact. Overall, this compound's unique structure may lend itself to applications in medicinal chemistry or as an intermediate in organic synthesis.

Formula: C₁₉H₂₇NO₃

InChI: InChI=1S/C19H27NO3/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/h7-9,14H,2-6,10-13,15H2,1H3

InChI key: InChIKey=HVJHGRYSLRHPNW-UHFFFAOYSA-N

SMILES: C(C1=CC(C(CCCCC(OCC)=O)=O)=CC=C1)N2CCCC2

Synonyms:

• Ethyl ε-oxo-3-(1-pyrrolidinylmethyl)benzenehexanoate
• Benzenehexanoic acid, ε-oxo-3-(1-pyrrolidinylmethyl)-, ethyl ester