Description
3-Oxa-9-azabicyclo[3.3.1]nonane (CAS No. 280-99-9) is a bicyclic organic compound with the molecular formula C7H13NO. This heterocyclic structure features both nitrogen and oxygen atoms within a rigid bicyclo[3.3.1]nonane framework, making it a valuable scaffold in medicinal chemistry and organic synthesis. The compound is characterized by its high purity and stability, ensuring reliable performance in research applications. It is supplied as a clear to pale-yellow liquid or solid, depending on storage conditions, and should be stored under inert atmosphere to maintain integrity. Ideal for use in pharmaceutical intermediates, ligand design, and as a building block for complex molecular architectures.
Properties
- CAS Number: 280-99-9
- Complexity: 95.1
- IUPAC Name: 3-oxa-9-azabicyclo[3.3.1]nonane
- InChI: InChI=1S/C7H13NO/c1-2-6-4-9-5-7(3-1)8-6/h6-8H,1-5H2
- InChI Key: DVVZRIIREIUXSR-UHFFFAOYSA-N
- Exact Mass: 127.099714038
- Molecular Formula: C7H13NO
- Molecular Weight: 127.18
- SMILES: C1CC2COCC(C1)N2
- Topological: 21.3
- Monoisotopic Mass: 127.099714038
- Synonyms: 3-Oxa-9-azabicyclo[3.3.1]nonane, 280-99-9, SCHEMBL56428, SCHEMBL272458, SCHEMBL322704, SCHEMBL2104721, DTXSID60570350, 3,9-oxaazabicyclo[3.3.1]nonane, AKOS006353778, PB38564, DB-194233, CS-0058470, EN300-82713, D72966
Application
3-Oxa-9-azabicyclo[3.3.1]nonane is widely utilized as a key intermediate in the synthesis of biologically active compounds, particularly in the development of central nervous system (CNS) therapeutics. Its rigid bicyclic structure makes it a valuable precursor for designing novel ligands targeting neurotransmitter receptors. Researchers also employ this compound in the study of conformational dynamics and stereochemical effects in heterocyclic systems. Additionally, it serves as a versatile building block in the construction of complex alkaloids and pharmacophores.
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