Description

1-(4-Nitrophenyl)piperidin-2-one (CAS No. 38560-30-4) is a high-purity organic compound with the molecular formula C₁₁H₁₂N₂O₃. This nitrophenyl-substituted piperidinone derivative is a valuable intermediate in pharmaceutical and agrochemical research, offering a unique structural motif for drug discovery and chemical synthesis. Its well-defined crystalline structure and high stability make it ideal for controlled reactions and mechanistic studies. Available in ≥98% purity (HPLC), this compound is rigorously tested for quality, ensuring reproducibility in sensitive applications. Suitable for use in medicinal chemistry, heterocyclic synthesis, and as a building block for complex molecules, it is packaged under inert gas to maintain integrity.

Properties

• CAS Number: 38560-30-4
• Complexity: 279
• IUPAC Name: 1-(4-nitrophenyl)piperidin-2-one
• InChI: InChI=1S/C11H12N2O3/c14-11-3-1-2-8-12(11)9-4-6-10(7-5-9)13(15)16/h4-7H,1-3,8H2
• InChI Key: VPCQXIGQMFWXII-UHFFFAOYSA-N
• Exact Mass: 220.08479225
• Molecular Formula: C11H12N2O3
• Molecular Weight: 220.22
• SMILES: C1CCN(C(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-]
• Topological: 66.1
• Monoisotopic Mass: 220.08479225
• Synonyms: 1-(4-Nitrophenyl)piperidin-2-one, 38560-30-4, DTXSID50624795, DTXCID20575548, 1-(4-NITROPHENYL)-2-PIPERIDINONE, 1-(4-Nitrophenyl)-2-piperidone, MFCD04037154, 2-Piperidinone, 1-(4-nitrophenyl)-, SCHEMBL5166507, SCHEMBL17796051, VPCQXIGQMFWXII-UHFFFAOYSA-N, BCP07645, CS-M0372, AKOS016009091, DS-4510, SY106105, DB-069702, N0975

Application

1-(4-Nitrophenyl)piperidin-2-one serves as a versatile intermediate in the synthesis of pharmacologically active compounds, particularly in developing CNS-targeting drugs due to its piperidine core. Researchers utilize it in Suzuki coupling and other cross-coupling reactions to create novel heterocyclic frameworks. Its nitro group also facilitates reduction to amine derivatives for further functionalization in medicinal chemistry pipelines.

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