Atomfair

Awaiting product image

Atomfair tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate C12H22N2O2 CAS 1251015-63-0

tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate (CAS: 1251015-63-0) is a high-purity bicyclic amine derivative with the molecular formula C12H22N2O2. This compound features a rigid diazabicyclo[4.2.1]nonane core protected by a tert-butyloxycarbonyl (Boc) group, making it a valuable intermediate in organic synthesis and medicinal chemistry. Its unique structure enables applications in the development of pharmaceuticals, agrochemicals, and advanced materials. The product is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), ensuring consistency for research and industrial use. Store under inert conditions at 2-8°C to maintain stability.

Category:

Description

tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate (CAS: 1251015-63-0) is a high-purity bicyclic amine derivative with the molecular formula C12H22N2O2. This compound features a rigid diazabicyclo[4.2.1]nonane core protected by a tert-butyloxycarbonyl (Boc) group, making it a valuable intermediate in organic synthesis and medicinal chemistry. Its unique structure enables applications in the development of pharmaceuticals, agrochemicals, and advanced materials. The product is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), ensuring consistency for research and industrial use. Store under inert conditions at 2-8°C to maintain stability.

Properties

  • CAS Number: 1251015-63-0
  • Complexity: 273
  • IUPAC Name: tert-butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
  • InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)8-13-7-6-9/h9-10,13H,4-8H2,1-3H3
  • InChI Key: IDJDDPDWYRVJPF-UHFFFAOYSA-N
  • Exact Mass: 226.168127949
  • Molecular Formula: C12H22N2O2
  • Molecular Weight: 226.32
  • SMILES: CC(C)(C)OC(=O)N1C2CCC1CNCC2
  • Topological: 41.6
  • Monoisotopic Mass: 226.168127949
  • Synonyms: 1251015-63-0, tert-butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate, DTXSID00679174, tert-Butyl 3,9-diazabicyclo(4.2.1)nonane-9-carboxylate, DTXCID10629923, 824-471-4, 9-BOC-3,9-DIAZA-BICYCLO[4.2.1]NONANE, 1280719-49-4, 9-Boc-3,9-diazabicyclo[4.2.1]nonane, 3,9-DIAZABICYCLO[4.2.1]NONANE-9-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER, tert-Butyl rac-(1S,6R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate, MFCD18785763, 3,9-Diaza-bicyclo[4.2.1]nonane-9-carboxylic acid tert-butyl ester, SCHEMBL2300360, IDJDDPDWYRVJPF-UHFFFAOYSA-N, Racemic-tert-butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate, AKOS015950817, PB11375, SB32631, SY134736, DB-062354, CS-0057331, EN300-100953, P12442, Z1341563037

Application

tert-Butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate is widely utilized as a key building block in the synthesis of complex nitrogen-containing heterocycles. Its Boc-protected amine group facilitates selective deprotection for further functionalization in drug discovery, particularly for CNS-targeting compounds. Researchers also employ this intermediate in the development of catalysts and ligands for asymmetric synthesis.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
  • H319 (50%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Dam. 1 (50%)
  • STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products