Atomfair

Awaiting product image

Atomfair Tert-butyl 2-oxoazepane-1-carboxylate C11H19NO3 CAS 106412-36-6

Tert-butyl 2-oxoazepane-1-carboxylate (CAS No. 106412-36-6) is a high-purity organic compound with the molecular formula C11H19NO3. This specialized chemical features a seven-membered azepane ring with a carbonyl group at the 2-position, protected by a tert-butoxycarbonyl (Boc) group at the nitrogen. Its IUPAC name is tert-butyl 2-oxoazepane-1-carboxylate , and it is widely utilized as a key intermediate in pharmaceutical synthesis and medicinal chemistry research. With a molecular weight of 213.27 g/mol, this compound is typically supplied as a white to off-white crystalline powder or solid, ensuring consistent quality for demanding applications. Store in a cool, dry place under inert conditions to maintain…

Category:

Description

Tert-butyl 2-oxoazepane-1-carboxylate (CAS No. 106412-36-6) is a high-purity organic compound with the molecular formula C11H19NO3. This specialized chemical features a seven-membered azepane ring with a carbonyl group at the 2-position, protected by a tert-butoxycarbonyl (Boc) group at the nitrogen. Its IUPAC name is tert-butyl 2-oxoazepane-1-carboxylate, and it is widely utilized as a key intermediate in pharmaceutical synthesis and medicinal chemistry research. With a molecular weight of 213.27 g/mol, this compound is typically supplied as a white to off-white crystalline powder or solid, ensuring consistent quality for demanding applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

  • CAS Number: 106412-36-6
  • Complexity: 255
  • IUPAC Name: tert-butyl 2-oxoazepane-1-carboxylate
  • InChI: InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(12)13/h4-8H2,1-3H3
  • InChI Key: GJZYNYJIBDCRFC-UHFFFAOYSA-N
  • Exact Mass: 213.13649347
  • Molecular Formula: C11H19NO3
  • Molecular Weight: 213.27
  • SMILES: CC(C)(C)OC(=O)N1CCCCCC1=O
  • Topological: 46.6
  • Monoisotopic Mass: 213.13649347
  • Synonyms: Tert-butyl 2-oxoazepane-1-carboxylate, 106412-36-6, DTXSID20465430, DTXCID60416249, 686-986-9, N-Boc-epsilon-caprolactam, N-Boc-|A-caprolactam, MFCD03265235, 1-Boc-2-oxoazepane, SCHEMBL5421438, N-Boc-epsilon-caprolactam, 97%, t-Butyl 2-oxoazepane-1-carboxylate, AKOS015960214, s12102, AS-54561, CS-0079206, EN300-135718

Application

Tert-butyl 2-oxoazepane-1-carboxylate serves as a versatile building block in the synthesis of complex heterocyclic compounds, particularly in the development of bioactive molecules and drug candidates. Researchers employ this intermediate in peptide mimetics and constrained scaffold designs due to its rigid azepane backbone. It is also valuable in exploring novel pharmacophores for central nervous system (CNS) targets and protease inhibitors.

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]
  • H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

  • P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (100%)
  • Aquatic Acute 1 (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