Description

8-Oxa-3,10-diaza-bicyclo[4.3.1]decane-10-carboxylic acid tert-butyl ester (CAS No. 1331848-02-2) is a high-purity bicyclic heterocyclic compound with the molecular formula C₁₂H₂₂N₂O₃. This Boc-protected amine derivative is a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound features a rigid bicyclic scaffold with oxygen and nitrogen heteroatoms, making it a versatile building block for drug discovery and medicinal chemistry applications. It is supplied as a white to off-white solid with a purity of ≥95% (HPLC) and is packaged under inert conditions to ensure stability. Suitable for research and development purposes, this product is ideal for scientists working on novel therapeutic agents or exploring new chemical entities.

Properties

• CAS Number: 1331848-02-2
• Complexity: 288
• IUPAC Name: tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate
• InChI: InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-9-4-5-13-6-10(14)8-16-7-9/h9-10,13H,4-8H2,1-3H3
• InChI Key: FQECAYIXVHVQPO-UHFFFAOYSA-N
• Exact Mass: 242.16304257
• Molecular Formula: C12H22N2O3
• Molecular Weight: 242.31
• SMILES: CC(C)(C)OC(=O)N1C2CCNCC1COC2
• Topological: 50.8
• Monoisotopic Mass: 242.16304257
• Synonyms: 1331848-02-2, tert-butyl 8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate, 8-Oxa-3,10-diaza-bicyclo[4.3.1]decane-10-carboxylic acid tert-butyl ester, 10-Boc-8-oxa-3,10-diazabicyclo[4.3.1]decane, MFCD25509331, SCHEMBL2299743, FQECAYIXVHVQPO-UHFFFAOYSA-N, PS-18088, SY322802, CS-0444859, E73608, tert-butyl8-oxa-3,10-diazabicyclo[4.3.1]decane-10-carboxylate

Application

This compound serves as a key intermediate in the synthesis of complex heterocyclic molecules, particularly in pharmaceutical research. It is utilized in the preparation of potential drug candidates targeting neurological and cardiovascular diseases. The Boc-protected amine group allows for further functionalization under mild conditions, making it valuable for peptide coupling and combinatorial chemistry. Researchers also employ it in the development of enzyme inhibitors and receptor modulators due to its rigid bicyclic structure.

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