Description

Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate (CAS No. 240401-28-9) is a high-purity, synthetic organic compound with the molecular formula C₁₃H₂₃NO₃. This spirocyclic compound features a unique 7-azaspiro[3.5]nonane core structure, functionalized with a hydroxyl group at the 2-position and a tert-butoxycarbonyl (Boc) protecting group on the nitrogen. Its rigid spiro architecture and bifunctional reactivity make it a valuable intermediate in pharmaceutical research, medicinal chemistry, and peptide synthesis. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for sensitive applications. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 240401-28-9
• Complexity: 292
• IUPAC Name: tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
• InChI: InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(15)9-13/h10,15H,4-9H2,1-3H3
• InChI Key: QTKGBUXGQNHIIM-UHFFFAOYSA-N
• Exact Mass: 241.16779360
• Molecular Formula: C13H23NO3
• Molecular Weight: 241.33
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)O
• Topological: 49.8
• Monoisotopic Mass: 241.16779360
• Synonyms: Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate, DTXSID10431487, tert-butyl 2-hydroxy-7-azaspiro(3.5)nonane-7-carboxylate, DTXCID00382318, 981-653-7, 240401-28-9, 7-Boc-2-hydroxy-7-azaspiro[3.5]nonane, MFCD14584466, 2-Hydroxy-7-aza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester, 7-Boc-7-azaspiro[3.5]nonan-2-ol, SCHEMBL1474868, QTKGBUXGQNHIIM-UHFFFAOYSA-N, QJA40128, 7-Boc-7-azaspiro[3.5]nonane-2-ol, AKOS016008184, PB11119, AC-30358, AS-42007, SY098616, CS-0045416, EN300-153673, t-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate, Tert-butyl2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate, 7-(tert-butoxycarbonyl)-2-hydroxy-7-azaspiro[3.5]nonane, tert-butyl 2-hydroxy-7-aza-spiro[3.5]-nonane-7-carboxylate

Application

Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate serves as a key building block in the synthesis of bioactive molecules, particularly for constrained peptidomimetics and spirocyclic drug candidates. Its Boc-protected amine and hydroxyl groups enable selective derivatization for fragment-based drug discovery. The compound’s spiro scaffold is exploited to induce conformational restriction in target molecules, improving binding affinity and metabolic stability. Researchers utilize it in developing central nervous system (CNS) therapeutics and enzyme inhibitors due to its ability to modulate three-dimensional pharmacophore geometry.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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