Description

4-(4-Methylpiperazin-1-yl)-2-nitrobenzoic acid (CAS No. 942271-67-2) is a high-purity organic compound with the molecular formula C₁₂H₁₅N₃O₄. This nitro-substituted benzoic acid derivative features a 4-methylpiperazine moiety, making it a valuable intermediate for pharmaceutical research and medicinal chemistry applications. The compound is supplied as a solid with rigorously verified identity and purity, ensuring reproducibility in synthetic workflows. Its structural features, including the carboxylic acid and nitro functional groups, offer versatile reactivity for further derivatization. Ideal for use in drug discovery, this building block is particularly suited for the development of kinase inhibitors and other biologically active molecules. Each batch is thoroughly characterized by ¹H NMR, HPLC, and mass spectrometry to guarantee quality.

Properties

• CAS Number: 942271-67-2
• Complexity: 349
• IUPAC Name: 4-(4-methylpiperazin-1-yl)-2-nitro-benzoic acid
• InChI: InChI=1S/C12H15N3O4/c1-13-4-6-14(7-5-13)9-2-3-10(12(16)17)11(8-9)15(18)19/h2-3,8H,4-7H2,1H3,(H,16,17)
• InChI Key: CUPIQIZTPWFYOK-UHFFFAOYSA-N
• Exact Mass: 265.10625597
• Molecular Formula: C12H15N3O4
• Molecular Weight: 265.26
• SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-]
• Topological: 89.6
• Monoisotopic Mass: 265.10625597
• Synonyms: 942271-67-2, 4-(4-METHYLPIPERAZIN-1-YL)-2-NITROBENZOIC ACID, 4-(4-Methylpiperazin-1-yl)-2-nitrobenzoicacid, SCHEMBL591154, DTXSID60672545, CUPIQIZTPWFYOK-UHFFFAOYSA-N, AKOS025146887, DA-22497, 4-(4-methyl-piperazin-1-yl)-2-nitro-benzoic acid

Application

This compound serves as a key synthetic intermediate in the preparation of biologically active molecules, particularly in pharmaceutical research targeting kinase inhibition. The methylpiperazine and nitro-substituted benzoic acid moieties make it valuable for structure-activity relationship (SAR) studies in drug discovery. Researchers utilize it in the development of novel therapeutic agents, especially in oncology and CNS drug design.

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