Description
3,7-Dioxa-9-azabicyclo[3.3.1]nonane (CAS No. 873336-52-8) is a highly specialized bicyclic organic compound with the molecular formula C6H11NO2. This heterocyclic structure features both nitrogen and oxygen atoms within its 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. Its unique structural properties make it particularly useful as a building block for pharmaceuticals, ligands, and catalysts. Available in various quantities, this product is rigorously tested to meet the stringent requirements of academic and industrial researchers.
Properties
- CAS Number: 873336-52-8
- Complexity: 87.2
- IUPAC Name: 3,7-dioxa-9-azabicyclo[3.3.1]nonane
- InChI: InChI=1S/C6H11NO2/c1-5-2-9-4-6(7-5)3-8-1/h5-7H,1-4H2
- InChI Key: NHUACECKDDIIEA-UHFFFAOYSA-N
- Exact Mass: 129.078978594
- Molecular Formula: C6H11NO2
- Molecular Weight: 129.16
- SMILES: C1C2COCC(N2)CO1
- Topological: 30.5
- Monoisotopic Mass: 129.078978594
- Synonyms: 3,7-dioxa-9-azabicyclo[3.3.1]nonane, 873336-52-8, 3,7-dioxa-9-azabicyclo(3.3.1)nonane, 842-582-6, SCHEMBL54162, SCHEMBL271396, SCHEMBL15366397, SCHEMBL16792326, SCHEMBL20469482, NHUACECKDDIIEA-UHFFFAOYSA-N, YJB33652, AKOS006351725, 3,7-Dioxa-9-aza-bicyclo[3.3.1]nonane, CS-0112793, D77142, EN300-119630
Application
3,7-Dioxa-9-azabicyclo[3.3.1]nonane serves as a versatile intermediate in the synthesis of complex heterocyclic compounds. Its rigid bicyclic structure is exploited in the development of novel pharmaceutical agents, particularly in central nervous system (CNS) drug discovery. Researchers utilize this compound to construct ligands for asymmetric catalysis and metal-organic frameworks (MOFs). Additionally, it finds applications in material science for designing functionalized polymers and supramolecular assemblies.
Safety and Hazards
GHS Hazard Statements
- H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
- 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Acute Tox. 4 (100%)
- Skin Irrit. 2 (100%)
- Eye Dam. 1 (100%)
- STOT SE 3 (100%)
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