CAS 374063-97-5

2-[4-(4-Hydroxy-2-butyn-1-yl)-1-piperazinyl]-3-nitrobenzoic acid

Description:

2-[4-(4-Hydroxy-2-butyn-1-yl)-1-piperazinyl]-3-nitrobenzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, a nitro group, and a piperazine ring. The presence of the hydroxy group on the butynyl chain contributes to its potential reactivity and solubility properties. This compound is likely to exhibit both acidic and basic characteristics due to the carboxylic acid and piperazine functionalities, respectively. The nitro group may enhance its electron-withdrawing properties, influencing its reactivity in various chemical reactions. Additionally, the compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the piperazine ring's known biological activity. Its molecular interactions could be significant in biological systems, making it a candidate for further research in drug design and development. Overall, this compound's unique structural features and functional groups contribute to its potential utility in various chemical and biological applications.

Formula: C₁₅H₁₇N₃O₅

InChI: InChI=1S/C15H17N3O5/c19-11-2-1-6-16-7-9-17(10-8-16)14-12(15(20)21)4-3-5-13(14)18(22)23/h3-5,19H,6-11H2,(H,20,21)

InChI key: InChIKey=WRELIIJZMKMRMP-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C(N(=O)=O)=CC=C1)N2CCN(CC#CCO)CC2

Synonyms:

• Benzoic acid, 2-[4-(4-hydroxy-2-butynyl)-1-piperazinyl]-3-nitro-
• Benzoic acid, 2-[4-(4-hydroxy-2-butyn-1-yl)-1-piperazinyl]-3-nitro-
• 2-[4-(4-Hydroxy-2-butyn-1-yl)-1-piperazinyl]-3-nitrobenzoic acid

2-[4-(4-Hydroxybut-2-yn-1-yl)piperazin-1-yl]-3-nitrobenzoic acid

CAS: 374063-97-5

2-[4-(4-Hydroxybut-2-yn-1-yl)piperazin-1-yl]-3-nitrobenzoic acid

Purity: ≥95%

Ref: 54-OR01498