Description

Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate (CAS No. 886767-49-3) is a high-purity organic compound with the molecular formula C₁₅H₂₁ClN₂O₂. This Boc-protected piperazine derivative features a 4-chlorophenyl substituent, making it a valuable intermediate in pharmaceutical and agrochemical research. The compound is supplied as a white to off-white crystalline solid with a molecular weight of 296.79 g/mol. It is characterized by excellent chemical stability under standard storage conditions (room temperature, inert atmosphere) and is suitable for various synthetic transformations, including deprotection reactions and further functionalization. Our product undergoes rigorous QC testing (HPLC, NMR) to ensure ≥95% purity, meeting the stringent requirements of medicinal chemistry and drug discovery applications.

Properties

• CAS Number: 886767-49-3
• Complexity: 335
• IUPAC Name: tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
• InChI: InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3
• InChI Key: WWWIVVADARKSAS-UHFFFAOYSA-N
• Exact Mass: 296.1291556
• Molecular Formula: C15H21ClN2O2
• Molecular Weight: 296.79
• SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=C(C=C2)Cl
• Topological: 41.6
• Monoisotopic Mass: 296.1291556
• Synonyms: 886767-49-3, Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate, 3-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester, MFCD03840084, 3-(4-CHLORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1-Boc-3-(4-chlorophenyl)piperazine, 3-(4-Chlorophenyl)piperazine, N1-BOC protected, tert-butyl3-(4-chlorophenyl)piperazine-1-carboxylate, SCHEMBL3318358, DTXSID00395488, AR1457, AKOS005256454, AB16383, AB46339, AB46340, CS-W018969, GS-4415, SY064492, DB-001646, EN300-1878599, 3-(4-Chlorophenyl)piperazine-1-carboxylic acidtert-butyl ester, 3-(4-CHLOROPHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Application

Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate serves as a key building block in the synthesis of biologically active molecules, particularly in CNS drug development. The compound’s protected piperazine moiety enables selective modification for creating dopamine or serotonin receptor ligands. Researchers utilize it in structure-activity relationship (SAR) studies of antipsychotic and antidepressant compounds. The 4-chlorophenyl group contributes to enhanced lipophilicity in derived pharmaceutical candidates.

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