Description

tert-Butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate (CAS No. 1431868-59-5) is a high-purity spirocyclic compound with the molecular formula C₁₇H₂₄N₂O₂. This Boc-protected diazaspiro derivative is a valuable building block in organic synthesis and medicinal chemistry, particularly for the development of novel pharmaceuticals and bioactive molecules. The compound features a rigid spiro[3.3]heptane core with a benzyl group at the 1-position and a tert-butoxycarbonyl (Boc) protecting group at the 6-position, offering unique steric and electronic properties for structure-activity relationship studies. It is supplied as a white to off-white solid with ≥95% purity (HPLC) and is rigorously characterized by ¹H NMR, ¹³C NMR, and mass spectrometry. Suitable for research use only, this chemical should be stored at 2-8°C under inert atmosphere to maintain stability.

Properties

• CAS Number: 1431868-59-5
• Complexity: 390
• IUPAC Name: tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate
• InChI: InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)18-12-17(13-18)9-10-19(17)11-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
• InChI Key: QYBYNAPMSILAHE-UHFFFAOYSA-N
• Exact Mass: 288.183778013
• Molecular Formula: C17H24N2O2
• Molecular Weight: 288.4
• SMILES: CC(C)(C)OC(=O)N1CC2(C1)CCN2CC3=CC=CC=C3
• Topological: 32.8
• Monoisotopic Mass: 288.183778013
• Synonyms: tert-Butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate, 1431868-59-5, MFCD31652427, SCHEMBL14902797, QYBYNAPMSILAHE-UHFFFAOYSA-N, AKOS037646827, AS-71080, SY323279, DB-388243, CS-0047171, 1-Benzyl-6-Boc-1,6-diazaspiro[3.3]heptane, 6-Boc-1-benzyl-1,6-diazaspiro[3.3]heptane, W15552, t-Butyl 1-benZyl-1,6-diaZaspiro[3.3]heptane-6-carboxylate, tert-Butyl1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate

Application

This spirocyclic compound serves as a key intermediate in the synthesis of pharmacologically active molecules, particularly those targeting central nervous system disorders. Its rigid scaffold is useful for constraining conformational flexibility in drug design, potentially improving selectivity and metabolic stability. Researchers employ this building block in the development of novel receptor modulators and enzyme inhibitors. The Boc protecting group allows for selective deprotection and further functionalization under mild acidic conditions.

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