Description

1,4-Diazaspiro[5.5]undecan-3-one (CAS No. 1547757-91-4) is a high-purity heterocyclic organic compound with the molecular formula C₉H₁₆N₂O. This spirocyclic lactam features a unique structural motif, combining a diazaspiro framework with a ketone functional group, making it a valuable intermediate for pharmaceutical and agrochemical research. Its rigid spirocyclic core enhances stereochemical control, ideal for developing novel bioactive molecules.

Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a white to off-white crystalline powder. It is soluble in common organic solvents like DMSO, methanol, and dichloromethane, but exhibits limited solubility in water. Each batch undergoes thorough QC analysis, including ¹H/¹³C NMR and LC-MS verification, to guarantee consistency for your synthetic applications.

Packaging options range from 100mg research samples to kilogram-scale quantities, all under inert atmosphere with desiccant for maximum stability. SDS and CoA documentation are available upon request. Store at 2-8°C in a tightly sealed container to prevent moisture absorption.

Properties

• CAS Number: 1547757-91-4
• Complexity: 185
• IUPAC Name: 1,4-diazaspiro[5.5]undecan-3-one
• InChI: InChI=1S/C9H16N2O/c12-8-6-11-9(7-10-8)4-2-1-3-5-9/h11H,1-7H2,(H,10,12)
• InChI Key: KQGJTTZSJNTXDN-UHFFFAOYSA-N
• Exact Mass: 168.126263138
• Molecular Formula: C9H16N2O
• Molecular Weight: 168.24
• SMILES: C1CCC2(CC1)CNC(=O)CN2
• Topological: 41.1
• Monoisotopic Mass: 168.126263138
• Synonyms: 1547757-91-4, 1, 4-Diazaspiro (5.5)undecan-3-one, 1, 4-DIAZASPIRO [5.5]UNDECAN-3-ONE, 858-361-2, 1,4-Diazaspiro[5.5]undecan-3-one, 1,4-Diaza-spiro[5.5]undecan-3-one, MFCD26937894, starbld0000650, SCHEMBL17191411, XLC75791, 1,4-diazaspiro[5,5]undecan-3-one, AKOS023778865, SB33879, CS-15900, SY293702, DS-020932, CS-0064717, D72279

Application

1,4-Diazaspiro[5.5]undecan-3-one serves as a key building block in medicinal chemistry, particularly for developing CNS-targeting drugs due to its ability to cross the blood-brain barrier. The spirocyclic structure is leveraged in creating protease inhibitors and GPCR modulators. Researchers utilize this compound to construct privileged scaffolds for kinase inhibition studies. Its lactam moiety enables diverse derivatization through amide coupling or reduction reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• 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.