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CAS 898774-32-8

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Ethyl 3-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate

Description:
Ethyl 3-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate, identified by its CAS number 898774-32-8, is a chemical compound that belongs to the class of benzoates. It features an ethyl ester functional group, which contributes to its solubility and reactivity. The compound contains a pyrrolidine moiety, indicating potential interactions with biological systems, particularly in pharmacological contexts. Its structure includes a benzoyl group, which is known for its role in various chemical reactions and applications. Ethyl 3-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate may exhibit properties such as moderate to high lipophilicity, making it suitable for studies in drug design and development. Additionally, the presence of the pyrrolidine ring suggests potential for interactions with neurotransmitter systems, which could be of interest in medicinal chemistry. Overall, this compound's unique structural features may contribute to its utility in various chemical and biological applications, although specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C21H23NO3
InChI:InChI=1S/C21H23NO3/c1-2-25-21(24)17-10-7-9-16(14-17)20(23)19-11-4-3-8-18(19)15-22-12-5-6-13-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3
InChI key:InChIKey=MDCLVCDRTYUDCJ-UHFFFAOYSA-N
SMILES:C(=O)(C1=C(CN2CCCC2)C=CC=C1)C3=CC(C(OCC)=O)=CC=C3
Synonyms:
  • Ethyl 3-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate
  • Benzoic acid, 3-[2-(1-pyrrolidinylmethyl)benzoyl]-, ethyl ester
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