4-(4-methylpiperazin-1-yl)benzoic acid
$300.00
CAS No.: 86620-62-4
Catalog No.: 196279
Purity: 95%
MF: C12H16N2O2
MW: 220.272
Storage: 2-8 degree Celsius
SMILES: CN1CCN(CC1)C1=CC=C(C(=O)O)C=C1
Catalog No.: 196279
Purity: 95%
MF: C12H16N2O2
MW: 220.272
Storage: 2-8 degree Celsius
SMILES: CN1CCN(CC1)C1=CC=C(C(=O)O)C=C1
4-(4-methylpiperazin-1-yl)benzoic acid; CAS No.: 86620-62-4; 4-(4-methylpiperazin-1-yl)benzoic acid. PROPERTIES: This compound presents a 4-(4-methylpiperazin-1-yl)benzoic acid structure, combining a methylpiperazine group and a benzoic acid group. It typically appears as a white to off-white crystalline solid with a molecular weight of approximately 222.3 g/mol (C12H16N2O2). The melting point ranges between 150-155 C, and it exhibits moderate solubility in common organic solvents like ethanol, methanol, and DMSO while being sparingly soluble in water. Proper storage requires a tightly sealed container in a cool, dry place. Safety considerations include wearing appropriate PPE. It is classified as a skin and eye irritant (GHS07) with the hazard statement H315-H319. APPLICATIONS: 4-(4-Methylpiperazin-1-yl)benzoic acid serves as a specialized intermediate in pharmaceutical research. Its 4-(4-methylpiperazin-1-yl)benzoic acid structure enables diverse reactivity patterns, including esterification, amide bond formation, and nucleophilic substitution at the piperazine nitrogen. In medicinal chemistry, it is used to develop bioactive molecules targeting kinases, proteases, and G protein-coupled receptors. The methylpiperazine group provides hydrogen-bonding capabilities for improved target binding. This compound also functions as a building block in the synthesis of fluorescent probes and bioconjugation reagents. Academic studies utilize it as a model system in Medicinal Chemistry journals, focusing on optimizing the 4-(4-methylpiperazin-1-yl)benzoic acid scaffold for improved biological activity and pharmacokinetic properties.
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