Description

tert-Butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate (CAS No. 646055-63-2) is a high-purity, nitrogen-containing spirocyclic compound with the molecular formula C₁₂H₂₂N₂O₂. This chemical is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique spirocyclic structure and tert-butyloxycarbonyl (Boc) protecting group make it an ideal intermediate for the development of novel bioactive molecules. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. For research use only; not intended for diagnostic or therapeutic purposes.

Properties

• CAS Number: 646055-63-2
• Complexity: 285
• IUPAC Name: tert-butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate
• InChI: InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-6-12(9-14)5-4-7-13-12/h13H,4-9H2,1-3H3
• InChI Key: JMCDKYJLNLUCRX-UHFFFAOYSA-N
• Exact Mass: 226.168127949
• Molecular Formula: C12H22N2O2
• Molecular Weight: 226.32
• SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CCCN2
• Topological: 41.6
• Monoisotopic Mass: 226.168127949
• Synonyms: 646055-63-2, tert-butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate, DTXSID50624432, tert-Butyl 1,7-diazaspiro(4.4)nonane-7-carboxylate, DTXCID80575185, 829-577-4, 7-Boc-1,7-diaza-spiro[4.4]nonane, 1,7-Diazaspiro[4.4]nonane-7-carboxylic acid tert-butyl ester, 1,7-Diaza-spiro[4.4]nonane-7-carboxylic acid tert-butyl ester, 1,7-DIAZASPIRO[4.4]NONANE-7-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER, MFCD09266216, 7-Boc-1,7-diazaspiro[4.4]nonane, SCHEMBL1556542, JMCDKYJLNLUCRX-UHFFFAOYSA-N, WAB05563, AKOS015950370, PB29641, AS-36312, SY026911, DB-073520, CS-0000886, B80109, EN300-749611, tert-butyl1,7-diazaspiro[4.4]nonane-7-carboxylate, tert-Butyl 2,6-diazaspiro[4.4]nonane-2-carboxylate

Application

tert-Butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate is widely used as a key intermediate in medicinal chemistry for the synthesis of potential drug candidates. Its spirocyclic framework is particularly valuable in the design of protease inhibitors and GPCR-targeting compounds. The Boc-protected amine functionality allows for selective deprotection and further derivatization under mild conditions. Researchers also utilize this compound in the development of novel ligands for neurological targets due to its rigid, three-dimensional structure.

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