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Atomfair 1,1-Dimethylethyl (1R,6S)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate C13H24N2O2 CAS 1207071-45-1

1,1-Dimethylethyl (1R,6S)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate (CAS No. 1207071-45-1) is a high-purity bicyclic tertiary amine carboxylate derivative with the molecular formula C13H24N2O2. This compound, also known by its IUPAC name tert -butyl (1R,6S)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate, features a rigid diazabicyclo[4.3.1]decane core structure with a tert -butyloxycarbonyl (Boc) protecting group. The stereochemistry at the 1R and 6S positions makes this compound particularly valuable for asymmetric synthesis and chiral auxiliary applications. With a molecular weight of 240.34 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). This product is ideal for pharmaceutical research, organocatalysis, and the development of novel bioactive molecules. Store under…

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Description

1,1-Dimethylethyl (1R,6S)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate (CAS No. 1207071-45-1) is a high-purity bicyclic tertiary amine carboxylate derivative with the molecular formula C13H24N2O2. This compound, also known by its IUPAC name tert-butyl (1R,6S)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate, features a rigid diazabicyclo[4.3.1]decane core structure with a tert-butyloxycarbonyl (Boc) protecting group. The stereochemistry at the 1R and 6S positions makes this compound particularly valuable for asymmetric synthesis and chiral auxiliary applications. With a molecular weight of 240.34 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). This product is ideal for pharmaceutical research, organocatalysis, and the development of novel bioactive molecules. Store under inert conditions at 2-8°C to ensure long-term stability.

Properties

  • CAS Number: 1207071-45-1
  • Complexity: 286
  • IUPAC Name: tert-butyl (1R,6S)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate
  • InChI: InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10-5-4-6-11(9-15)14-10/h10-11,14H,4-9H2,1-3H3/t10-,11+/m0/s1
  • InChI Key: JZYLWFDGGQTJND-WDEREUQCSA-N
  • Exact Mass: 240.183778013
  • Molecular Formula: C13H24N2O2
  • Molecular Weight: 240.34
  • SMILES: CC(C)(C)OC(=O)N1CC[C@@H]2CCC[C@H](C1)N2
  • Topological: 41.6
  • Monoisotopic Mass: 240.183778013
  • Synonyms: SCHEMBL18151107, EX-A7847M, 1,1-Dimethylethyl (1R,6S)-3,10-diazabicyclo[4.3.1]decane-3-carboxylate, 1207071-45-1

Application

This compound serves as a key intermediate in the synthesis of complex chiral amines and pharmaceutical scaffolds. Researchers utilize its rigid bicyclic structure for asymmetric catalysis and as a building block in medicinal chemistry. The Boc-protected amine functionality allows for selective deprotection in multi-step syntheses. It has shown promise in the development of CNS-active compounds due to its ability to cross the blood-brain barrier. The stereospecificity of this molecule makes it valuable for studying enzyme-substrate interactions.

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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).

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