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CAS 479353-63-4

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4-{[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid

Description:
4-{[4-(tert-butoxycarbonyl)piperazin-1-yl]methyl}benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a piperazine ring. The presence of the tert-butoxycarbonyl (Boc) group indicates that this compound is likely used in peptide synthesis or as a protecting group in organic synthesis. The piperazine ring contributes to its potential biological activity, as piperazine derivatives are often found in pharmaceuticals. This compound is typically a white to off-white solid and is soluble in organic solvents, with limited solubility in water. Its molecular structure suggests it may exhibit properties such as moderate acidity due to the carboxylic acid functional group, and it may participate in hydrogen bonding due to the presence of nitrogen atoms in the piperazine ring. The compound's CAS number, 479353-63-4, allows for easy identification in chemical databases, facilitating research and development in medicinal chemistry and related fields.
Formula:C17H24N2O4
InChI:InChI=1/C17H24N2O4/c1-17(2,3)23-16(22)19-10-8-18(9-11-19)12-13-4-6-14(7-5-13)15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)
InChI key:JGOFKAHLQQITIG-UHFFFAOYSA-N
SMILES:CC(C)(C)OC(=O)N1CCN(CC1)Cc1ccc(cc1)C(=O)O
Synonyms:
  • 1-Piperazinecarboxylic Acid, 4-[(4-Carboxyphenyl)Methyl]-, 1-(1,1-Dimethylethyl) Ester
  • 4-{[4-(Tert-Butoxycarbonyl)Piperazino]Methyl}Benzoic Acid
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