Description

Tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate (CAS No. 1158750-00-5) 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 for the development of novel bioactive molecules. The compound features a rigid spiro[5.5]undecane core structure with two nitrogen atoms at strategic positions, offering versatile reactivity for further functionalization. Supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), it is ideal for medicinal chemistry applications, including the synthesis of protease inhibitors, receptor modulators, and other therapeutic agents. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 1158750-00-5
• Complexity: 303
• IUPAC Name: tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate
• InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-5-4-6-14(16)7-9-15-10-8-14/h15H,4-11H2,1-3H3
• InChI Key: HIKNQHIQQLZTQF-UHFFFAOYSA-N
• Exact Mass: 254.199428076
• Molecular Formula: C14H26N2O2
• Molecular Weight: 254.37
• SMILES: CC(C)(C)OC(=O)N1CCCCC12CCNCC2
• Topological: 41.6
• Monoisotopic Mass: 254.199428076
• Synonyms: 1158750-00-5, tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate, 1,9-Diazaspiro[5.5]undecane-1-carboxylic acid tert-butyl ester, 1,9-Diaza-spiro[5.5]undecane-1-carboxylic acid tert-butyl ester, 115875-00-8, 1,9-Diazaspiro[5.5]undecane-1-carboxylicacid tert-butyl ester, 1-BOC-1,9-DIAZASPIRO[5.5]UNDECANE, MFCD12406520, CS-WAA0046, SCHEMBL15286428, DTXSID80649118, AKOS015950293, PB26837, AS-37500, DB-363124, CS-0003944, EN300-3145066, 1,9-Diazaspiro[5.5]undecan-1-carboxylic acid tert-butyl ester, 1,9-Diazaspiro[5.5]undecane-1-carboxylicacidtert-butylester, 1,9-Diazaspiro-[5.5]undecane-1-carboxylic acid tert-butylester, 1,9-DIAZASPIRO[5.5]UNDECANE-1-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER

Application

Tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate serves as a key building block in medicinal chemistry for constructing spirocyclic scaffolds with potential CNS activity. The Boc-protected amine functionality allows for selective deprotection and subsequent derivatization, making it valuable for drug discovery programs targeting GPCRs or ion channels. Its rigid spirocyclic structure contributes to improved metabolic stability in candidate compounds. Researchers utilize this intermediate in parallel synthesis approaches to generate diverse compound libraries for biological screening.

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