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Atomfair Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate C12H22N2O2 CAS 1823500-01-1

Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate (CAS No. 1823500-01-1) is a high-purity bicyclic organic compound with the molecular formula C12H22N2O2. This Boc-protected diazabicyclononane derivative is a valuable building block in pharmaceutical and medicinal chemistry research, particularly for the synthesis of complex heterocycles and bioactive molecules. The compound features a rigid bicyclic scaffold with tertiary amine and carboxylate functionalities, making it useful for ligand design and drug discovery applications. Our product is rigorously tested to ensure ≥95% purity by HPLC and is supplied as a white to off-white crystalline powder under inert packaging to ensure stability. Ideal for use in peptide mimetics, catalyst development, and…

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Description

Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate (CAS No. 1823500-01-1) is a high-purity bicyclic organic compound with the molecular formula C12H22N2O2. This Boc-protected diazabicyclononane derivative is a valuable building block in pharmaceutical and medicinal chemistry research, particularly for the synthesis of complex heterocycles and bioactive molecules. The compound features a rigid bicyclic scaffold with tertiary amine and carboxylate functionalities, making it useful for ligand design and drug discovery applications. Our product is rigorously tested to ensure ≥95% purity by HPLC and is supplied as a white to off-white crystalline powder under inert packaging to ensure stability. Ideal for use in peptide mimetics, catalyst development, and as a precursor for novel nitrogen-containing frameworks.

Properties

  • CAS Number: 1823500-01-1
  • Complexity: 261
  • IUPAC Name: tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
  • InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-4-6-10(8-14)13-9/h9-10,13H,4-8H2,1-3H3
  • InChI Key: NRSXXKHXMGDSKT-UHFFFAOYSA-N
  • Exact Mass: 226.168127949
  • Molecular Formula: C12H22N2O2
  • Molecular Weight: 226.32
  • SMILES: CC(C)(C)OC(=O)N1CC2CCCC(C1)N2
  • Topological: 41.6
  • Monoisotopic Mass: 226.168127949
  • Synonyms: tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate, 1823500-01-1, tert-butyl 3,9-diazabicyclo(3.3.1)nonane-3-carboxylate, 834-062-2, 3,9-Diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester, 3-Boc-3,9-diazabicyclo[3.3.1]nonane, MFCD28098139, SCHEMBL18081207, YXC50001, SB34547, PS-20736, SY232307, CS-0058468, EN300-191111, P18920, t-Butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate, tert-butyl3,9-diazabicyclo[3.3.1]nonane-3-carboxylate

Application

Tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate serves as a key intermediate in the synthesis of pharmaceutical compounds with potential CNS activity. Its rigid bicyclic structure makes it valuable for developing enzyme inhibitors and receptor modulators. Researchers utilize this compound in peptidomimetic design due to its constrained geometry and nitrogen-rich scaffold. The Boc-protected amine allows for selective deprotection in multi-step synthetic routes.

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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