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CAS 898774-35-1

:

Ethyl 4-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate

Description:
Ethyl 4-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate, identified by its CAS number 898774-35-1, is a chemical compound that belongs to the class of benzoates. This substance features a complex structure that includes an ethyl ester group and a pyrrolidine moiety, which contributes to its potential biological activity. The compound is characterized by its aromatic rings, which can influence its solubility and reactivity. Ethyl 4-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate may exhibit properties such as moderate to high lipophilicity due to the presence of the aromatic and aliphatic components, making it potentially useful in medicinal chemistry and drug design. Its molecular structure suggests potential interactions with biological targets, which could be explored for therapeutic applications. However, specific physical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization. As with many organic compounds, safety and handling precautions should be observed, particularly in laboratory settings.
Formula:C21H23NO3
InChI:InChI=1S/C21H23NO3/c1-2-25-21(24)17-11-9-16(10-12-17)20(23)19-8-4-3-7-18(19)15-22-13-5-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3
InChI key:InChIKey=KBVVZDYLTMNQHA-UHFFFAOYSA-N
SMILES:C(=O)(C1=C(CN2CCCC2)C=CC=C1)C3=CC=C(C(OCC)=O)C=C3
Synonyms:
  • Benzoic acid, 4-[2-(1-pyrrolidinylmethyl)benzoyl]-, ethyl ester
  • Ethyl 4-[2-(1-pyrrolidinylmethyl)benzoyl]benzoate
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