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Atomfair Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate C12H22N2O2 CAS 941295-31-4

Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate (CAS No. 941295-31-4) is a high-purity bicyclic amine derivative extensively used in pharmaceutical research and organic synthesis. With the molecular formula C12H22N2O2, this compound serves as a versatile intermediate for the development of bioactive molecules, particularly in medicinal chemistry for drug discovery. Its unique 3,9-diazabicyclo[3.3.1]nonane scaffold offers structural rigidity and functional group compatibility, making it ideal for ligand design and catalyst applications. Available in ≥98% purity (HPLC/GC), this product is supplied as a white to off-white crystalline powder under inert packaging to ensure stability and longevity. Suitable for laboratory-scale reactions and high-throughput screening, it is rigorously tested for…

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Description

Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate (CAS No. 941295-31-4) is a high-purity bicyclic amine derivative extensively used in pharmaceutical research and organic synthesis. With the molecular formula C12H22N2O2, this compound serves as a versatile intermediate for the development of bioactive molecules, particularly in medicinal chemistry for drug discovery. Its unique 3,9-diazabicyclo[3.3.1]nonane scaffold offers structural rigidity and functional group compatibility, making it ideal for ligand design and catalyst applications. Available in ≥98% purity (HPLC/GC), this product is supplied as a white to off-white crystalline powder under inert packaging to ensure stability and longevity. Suitable for laboratory-scale reactions and high-throughput screening, it is rigorously tested for consistency and trace solvent residues to meet industry standards.

Properties

  • CAS Number: 941295-31-4
  • Complexity: 261
  • IUPAC Name: tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
  • InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-5-4-6-10(14)8-13-7-9/h9-10,13H,4-8H2,1-3H3
  • InChI Key: IZLGOGRHBJIRNU-UHFFFAOYSA-N
  • Exact Mass: 226.168127949
  • Molecular Formula: C12H22N2O2
  • Molecular Weight: 226.32
  • SMILES: CC(C)(C)OC(=O)N1C2CCCC1CNC2
  • Topological: 41.6
  • Monoisotopic Mass: 226.168127949
  • Synonyms: tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate, 941295-31-4, tert-butyl 3,9-diazabicyclo(3.3.1)nonane-9-carboxylate, 834-057-5, 9-Boc-3,9-diaza-bicyclo[3.3.1]nonane, MFCD20441693, 9-Boc-3,9-diazabicyclo[3.3.1]nonane, 3,9-diaza-bicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester, SCHEMBL1397357, IZLGOGRHBJIRNU-UHFFFAOYSA-N, AKOS022191642, GS-2549, SB40107, SY097126, DB-151202, CS-0036913, EN300-90561, AU-004/43508405, 9-tert-butoxycarbonyl-3,9-diazabicyclo[3.3.1]nonane, F2147-1666, tert-butyl3,9-diazabicyclo[3.3.1]nonane-9-carboxylate, 3,9-Diazabicyclo[3.3.1]nonane-9-carboxylic acid,1,1-dimethylethyl ester

Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate is primarily employed as a key building block in the synthesis of complex heterocycles and pharmacophores. Researchers utilize it in palladium-catalyzed cross-coupling reactions and as a precursor for N-Boc-protected amines in peptide mimetics. Its bicyclic structure is leveraged in designing CNS-targeting compounds due to enhanced blood-brain barrier permeability. The compound also finds utility in asymmetric catalysis and as a ligand in transition-metal complexes.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

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).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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