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CAS 444582-90-5

:

2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid

Description:
2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acid, identified by its CAS number 444582-90-5, is a chemical compound that features a benzoic acid moiety substituted with a piperazine group. The tert-butoxycarbonyl (Boc) group serves as a protective group for the amine functionality of the piperazine, enhancing the compound's stability and solubility in various solvents. This compound is typically characterized by its moderate polarity, which allows for interactions in both polar and non-polar environments. It exhibits acidic properties due to the carboxylic acid functional group, making it capable of participating in acid-base reactions. The presence of the piperazine ring contributes to its potential biological activity, as piperazine derivatives are often explored for pharmacological applications. Additionally, the compound's structure suggests potential for hydrogen bonding and other intermolecular interactions, which can influence its reactivity and solubility. Overall, this compound is of interest in medicinal chemistry and drug development due to its unique structural features and potential therapeutic applications.
Formula:C16H22N2O4
InChI:InChI=1/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
SMILES:CC(C)(C)OC(=O)N1CCN(CC1)c1ccccc1C(=O)O
Synonyms:
  • 1-Piperazinecarboxylic acid, 4-(2-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester
  • 2-[4-(Tert-Butoxycarbonyl)Piperazino]Benzoic Acid
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