Description

Tert-butyl 1,8-diazaspiro[4.6]undecane-1-carboxylate (CAS No. 1160246-80-9) is a high-purity spirocyclic compound with the molecular formula C₁₄H₂₆N₂O₂. This Boc-protected diazaspiro derivative is widely utilized in pharmaceutical research and organic synthesis as a versatile building block. The compound features a rigid spiro[4.6]undecane core structure with a tert-butoxycarbonyl (Boc) protecting group, enhancing its stability for synthetic applications. With a molecular weight of 254.37 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Suitable for medicinal chemistry, drug discovery, and scaffold diversification, this intermediate is packaged under inert gas to ensure long-term stability. Storage at 2-8°C is recommended.

Properties

• CAS Number: 1160246-80-9
• Complexity: 311
• IUPAC Name: tert-butyl 1,9-diazaspiro[4.6]undecane-1-carboxylate
• InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-7-14(16)6-4-9-15-10-8-14/h15H,4-11H2,1-3H3
• InChI Key: MGZOCYLFFOCYGH-UHFFFAOYSA-N
• Exact Mass: 254.199428076
• Molecular Formula: C14H26N2O2
• Molecular Weight: 254.37
• SMILES: CC(C)(C)OC(=O)N1CCCC12CCCNCC2
• Topological: 41.6
• Monoisotopic Mass: 254.199428076
• Synonyms: 1160246-80-9, TERT-BUTYL 1,8-DIAZASPIRO[4.6]UNDECANE-1-CARBOXYLATE, tert-butyl 1,9-diazaspiro[4.6]undecane-1-carboxylate, MFCD12198514, 1-Boc-1,8-diazaspiro[4.6]undecane, tert-Butyl1,8-diazaspiro[4.6]undecane-1-carboxylate, SCHEMBL14762409, KWB24680, AKOS022981502, PB19241, AS-50901, SY123089, DB-060822, CS-0048486, P11384, t-Butyl 1,8-diazaspiro[4.6]undecane-1-carboxylate

Application

Tert-butyl 1,8-diazaspiro[4.6]undecane-1-carboxylate serves as a key intermediate in the synthesis of bioactive molecules, particularly in the development of central nervous system (CNS) therapeutics. Its spirocyclic structure is valuable for creating conformationally restricted pharmacophores in drug discovery programs. The Boc-protected amine functionality allows for selective deprotection and further functionalization under mild acidic conditions. Researchers employ this compound in the design of protease inhibitors and GPCR-targeted ligands due to its structural rigidity.

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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