Description

tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate (CAS No. 1031927-14-6) is a high-purity, nitrogen-containing spirocyclic compound with the molecular formula C₁₄H₂₆N₂O₂. This Boc-protected diazaspiro derivative is a valuable intermediate in organic synthesis and pharmaceutical research, particularly in the development of novel bioactive molecules and drug candidates. The compound features a rigid spirocyclic scaffold that imparts unique steric and electronic properties, making it useful for modulating molecular conformation and enhancing binding affinity in medicinal chemistry applications. Available in various quantities, our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a white to off-white crystalline solid. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 1031927-14-6
• Complexity: 301
• IUPAC Name: tert-butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate
• InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-7-14(8-11-16)6-4-5-9-15-14/h15H,4-11H2,1-3H3
• InChI Key: FYXOOJBRPNJJRP-UHFFFAOYSA-N
• Exact Mass: 254.199428076
• Molecular Formula: C14H26N2O2
• Molecular Weight: 254.37
• SMILES: CC(C)(C)OC(=O)N1CCC2(CCCCN2)CC1
• Topological: 41.6
• Monoisotopic Mass: 254.199428076
• Synonyms: tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate, 1031927-14-6, DTXSID10649141, tert-Butyl 1,9-diazaspiro(5.5)undecane-9-carboxylate, DTXCID30599891, 855-814-6, 948-424-3, MFCD09998745, 1,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER, DE-0047, tert-Butyl1,9-diazaspiro[5.5]undecane-9-carboxylate, SCHEMBL19328788, GRB92714, SBB101445, 1,9-DIAZA-SPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID TERT-BUTYL ESTER, AKOS015854500, PB16261, SY027038, DB-058941, CS-0000445, 1,9-Diazaspiro[5.5]undecane,n9-boc protected, EN300-1461627, 1,9-Diazaspiro[5.5]undecane, N9-BOC protected, tert-butyl 3,7-diazaspiro[5.5]undecane-3-carboxylate

Application

tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate serves as a key building block in pharmaceutical research, particularly for the synthesis of spirocyclic compounds with potential CNS activity. The rigid spirocyclic structure makes it valuable for developing conformationally restricted analogs in drug discovery programs. This intermediate is commonly employed in peptidomimetic design and as a precursor for novel heterocyclic scaffolds targeting GPCRs or enzymes.

Safety and Hazards

GHS Hazard Statements

• 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.