Description

Tert-butyl 1,8-diazaspiro[4.6]undecane-8-carboxylate (CAS No. 1403767-18-9) is a high-purity spirocyclic compound with the molecular formula C₁₄H₂₆N₂O₂. This Boc-protected diazaspiro derivative is a valuable building block in organic synthesis and pharmaceutical research, particularly in the development of novel bioactive molecules. The compound features a rigid spiro[4.6]undecane core structure with a tert-butoxycarbonyl (Boc) protecting group, enhancing its stability and handling properties. 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 use in medicinal chemistry, peptidomimetics, and as a scaffold in drug discovery, this product is rigorously tested by QC protocols including ¹H NMR, ¹³C NMR, and mass spectrometry to ensure batch-to-batch consistency. Store under inert atmosphere at 2-8°C for optimal stability.

Properties

• CAS Number: 1403767-18-9
• Complexity: 311
• IUPAC Name: tert-butyl 1,9-diazaspiro[4.6]undecane-9-carboxylate
• InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-5-7-14(8-11-16)6-4-9-15-14/h15H,4-11H2,1-3H3
• InChI Key: OWZXTCUXFLJUDF-UHFFFAOYSA-N
• Exact Mass: 254.199428076
• Molecular Formula: C14H26N2O2
• Molecular Weight: 254.37
• SMILES: CC(C)(C)OC(=O)N1CCCC2(CCCN2)CC1
• Topological: 41.6
• Monoisotopic Mass: 254.199428076
• Synonyms: 1403767-18-9, TERT-BUTYL 1,8-DIAZASPIRO[4.6]UNDECANE-8-CARBOXYLATE, tert-butyl 1,8-diazaspiro(4.6)undecane-8-carboxylate, 102-235-5, 8-Boc-1,8-diazaspiro[4.6]undecane, tert-butyl 1,9-diazaspiro[4.6]undecane-9-carboxylate, SCHEMBL22409350, DGC76718, AKOS022981503, PB37228, SB21731, BS-41851, CS-0038676, P13141

Application

Tert-butyl 1,8-diazaspiro[4.6]undecane-8-carboxylate serves as a key intermediate in the synthesis of spirocyclic compounds for pharmaceutical applications, particularly in CNS drug development. Its constrained geometry makes it valuable for creating conformationally restricted analogs of biologically active molecules. The Boc-protected amine functionality allows for selective deprotection in multi-step syntheses, enabling the construction of complex heterocycles. Researchers utilize this compound in fragment-based drug design and as a scaffold for kinase inhibitor development.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (100%)
• STOT SE 3 (100%)

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