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Atomfair Tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate 7-Boc-3-oxa-7,9-diazabicyclo[3.3.1]nonane C11H20N2O3 CAS 864448-41-9

Tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (CAS No. 864448-41-9) is a high-purity bicyclic organic compound with the molecular formula C11H20N2O3. This Boc-protected diazabicyclononane derivative is a valuable building block in pharmaceutical and agrochemical research, particularly in the synthesis of complex heterocyclic frameworks. The compound features a rigid bicyclic structure with both nitrogen and oxygen heteroatoms, offering unique steric and electronic properties for ligand design and medicinal chemistry applications. It is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC) and is characterized by NMR, MS, and elemental analysis. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability.

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Description

Tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (CAS No. 864448-41-9) is a high-purity bicyclic organic compound with the molecular formula C11H20N2O3. This Boc-protected diazabicyclononane derivative is a valuable building block in pharmaceutical and agrochemical research, particularly in the synthesis of complex heterocyclic frameworks. The compound features a rigid bicyclic structure with both nitrogen and oxygen heteroatoms, offering unique steric and electronic properties for ligand design and medicinal chemistry applications. It is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC) and is characterized by NMR, MS, and elemental analysis. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability.

Properties

  • CAS Number: 864448-41-9
  • Complexity: 263
  • IUPAC Name: tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
  • InChI: InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-4-8-6-15-7-9(5-13)12-8/h8-9,12H,4-7H2,1-3H3
  • InChI Key: SYYVJJWPPNEPGD-UHFFFAOYSA-N
  • Exact Mass: 228.14739250
  • Molecular Formula: C11H20N2O3
  • Molecular Weight: 228.29
  • SMILES: CC(C)(C)OC(=O)N1CC2COCC(C1)N2
  • Topological: 50.8
  • Monoisotopic Mass: 228.14739250
  • Synonyms: 864448-41-9, tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate, 7-Boc-3-oxa-7,9-diazabicyclo[3.3.1]nonane, 3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester, 3-oxa-7,9-diaza-bicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester, MFCD17016706, tert-Butyl 3-Oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate (>97%), SCHEMBL55022, DTXSID70697047, SYYVJJWPPNEPGD-UHFFFAOYSA-N, AKOS025291207, PB39088, SB20987, AS-34778, SY096868, CS-0037898, EN300-268851, tert-butyl3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

Application

This compound serves as a key intermediate in the preparation of pharmacologically active molecules, particularly those targeting central nervous system disorders. The rigid bicyclic scaffold makes it valuable for developing enzyme inhibitors and receptor modulators. Researchers utilize it in peptide mimetic design due to its constrained geometry and hydrogen bonding capabilities. The Boc-protecting group allows for selective deprotection in multi-step synthetic routes.

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Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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