Description

Tert-butyl 4-(6-(methoxycarbonyl)pyridin-3-yl)piperazine-1-carboxylate (CAS: 1354355-85-3) is a high-purity chemical compound with the molecular formula C₁₆H₂₃N₃O₄. This specialized intermediate features a piperazine core functionalized with a tert-butoxycarbonyl (Boc) protecting group and a methoxycarbonyl-substituted pyridine moiety, making it a valuable building block in medicinal chemistry and pharmaceutical research. The compound is characterized by its high stability under standard conditions and is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC). Suitable for use in peptide coupling reactions, Suzuki-Miyaura cross-couplings, and other palladium-catalyzed transformations, this reagent is meticulously packaged under inert gas to ensure long-term stability. Each batch undergoes rigorous QC analysis (NMR, LC-MS) to guarantee consistency for research applications.

Properties

• CAS Number: 1354355-85-3
• Complexity: 428
• IUPAC Name: tert-butyl 4-(6-methoxycarbonyl-3-pyridyl)piperazine-1-carboxylate
• InChI: InChI=1S/C16H23N3O4/c1-16(2,3)23-15(21)19-9-7-18(8-10-19)12-5-6-13(17-11-12)14(20)22-4/h5-6,11H,7-10H2,1-4H3
• InChI Key: YHMGGJCKQSNUID-UHFFFAOYSA-N
• Exact Mass: 321.16885622
• Molecular Formula: C16H23N3O4
• Molecular Weight: 321.37
• SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)C(=O)OC
• Topological: 72
• Monoisotopic Mass: 321.16885622
• Synonyms: 1354355-85-3, tert-butyl 4-(6-(methoxycarbonyl)pyridin-3-yl)piperazine-1-carboxylate, tert-butyl 4-[6-(methoxycarbonyl)pyridin-3-yl]piperazine-1-carboxylate, SCHEMBL14802410, YHMGGJCKQSNUID-UHFFFAOYSA-N, CS-0214308, H38495, 1-Piperazinecarboxylic acid, 4-[6-(methoxycarbonyl)-3-pyridinyl]-, 1,1-dimethylethyl ester

Application

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly in the development of kinase inhibitors and GPCR-targeting pharmaceuticals. Its Boc-protected piperazine group allows for selective deprotection and further functionalization in multi-step syntheses. Researchers utilize this building block in fragment-based drug discovery (FBDD) and combinatorial chemistry libraries. The pyridine ester moiety also enables downstream derivatization via hydrolysis or amide coupling.

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