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Atomfair tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate C11H20N2O3 CAS 1251010-45-3

tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate (CAS No. 1251010-45-3) is a high-purity bicyclic heterocyclic compound with the molecular formula C11H20N2O3. This Boc-protected amine derivative features a unique 3-oxa-7,9-diazabicyclo[3.3.1]nonane scaffold, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for demanding applications. Its molecular weight of 228.29 g/mol and well-defined structure (IUPAC name: tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate) make it particularly useful for medicinal chemistry and drug discovery programs. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

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Description

tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate (CAS No. 1251010-45-3) is a high-purity bicyclic heterocyclic compound with the molecular formula C11H20N2O3. This Boc-protected amine derivative features a unique 3-oxa-7,9-diazabicyclo[3.3.1]nonane scaffold, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for demanding applications. Its molecular weight of 228.29 g/mol and well-defined structure (IUPAC name: tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate) make it particularly useful for medicinal chemistry and drug discovery programs. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

  • CAS Number: 1251010-45-3
  • Complexity: 263
  • IUPAC Name: tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate
  • InChI: InChI=1S/C11H20N2O3/c1-11(2,3)16-10(14)13-8-4-12-5-9(13)7-15-6-8/h8-9,12H,4-7H2,1-3H3
  • InChI Key: ONCXRAVDLYHIJE-UHFFFAOYSA-N
  • Exact Mass: 228.14739250
  • Molecular Formula: C11H20N2O3
  • Molecular Weight: 228.29
  • SMILES: CC(C)(C)OC(=O)N1C2CNCC1COC2
  • Topological: 50.8
  • Monoisotopic Mass: 228.14739250
  • Synonyms: 1251010-45-3, tert-Butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate, 9-boc-3-oxa-7,9-diazabicyclo[3.3.1]nonane, 3-Oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid, 1,1-dimethylethyl ester, MFCD17017630, SCHEMBL16824874, AAC99771, AKOS025290989, SB12009, AS-34045, SY032997, DB-194232, CS-0048275, tert-Butyl3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate

Application

This compound serves as a key building block in the synthesis of complex pharmaceutical agents, particularly those targeting neurological disorders. The bicyclic structure provides rigid conformational control for drug design, while the Boc protecting group allows for selective deprotection in multi-step syntheses. Researchers utilize it in developing novel GABA receptor modulators and other CNS-active compounds. Its unique heterocyclic framework also finds application in catalyst design and asymmetric synthesis methodologies.

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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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