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CAS 898788-50-6

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Benzoic acid, 3-[3-[(4-methyl-1-piperazinyl)methyl]benzoyl]-, ethyl ester

Description:
Benzoic acid, 3-[3-[(4-methyl-1-piperazinyl)methyl]benzoyl]-, ethyl ester, identified by CAS number 898788-50-6, is a chemical compound that belongs to the class of benzoic acid derivatives. This compound features a benzoic acid core with an ethyl ester functional group, which enhances its lipophilicity and potential bioactivity. The presence of a piperazine moiety suggests that it may exhibit pharmacological properties, as piperazine derivatives are often associated with various biological activities, including antimicrobial and antidepressant effects. The structure indicates that it may participate in hydrogen bonding due to the carboxylic acid functionality, although the esterification reduces acidity. Its solubility characteristics are likely influenced by the balance between the hydrophilic carboxylate and the hydrophobic aromatic and piperazine components. This compound may be of interest in medicinal chemistry and drug development, particularly for its potential therapeutic applications. However, specific data regarding its physical properties, reactivity, and biological activity would require further investigation through experimental studies.
Formula:C22H26N2O3
InChI:InChI=1S/C22H26N2O3/c1-3-27-22(26)20-9-5-8-19(15-20)21(25)18-7-4-6-17(14-18)16-24-12-10-23(2)11-13-24/h4-9,14-15H,3,10-13,16H2,1-2H3
InChI key:InChIKey=ZHOFBVKCTCKLPJ-UHFFFAOYSA-N
SMILES:C(=O)(C1=CC(CN2CCN(C)CC2)=CC=C1)C3=CC(C(OCC)=O)=CC=C3
Synonyms:
  • 3-Carboethoxy-3′-(4-methylpiperazinomethyl) benzophenone
  • Benzoic acid, 3-[3-[(4-methyl-1-piperazinyl)methyl]benzoyl]-, ethyl ester
  • Ethyl 3-[3-[(4-methyl-1-piperazinyl)methyl]benzoyl]benzoate
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