3-Azabicyclo[3.2.1]octan-8-one

Base Information

• Chemical Name: 3-Azabicyclo[3.2.1]octan-8-one
• CAS No.: 240401-35-8
• Molecular Formula: C₇H₁₁NO
• Molecular Weight: 125.17
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50593472
• Mol file: 240401-35-8.mol

Synonyms:3-AZABICYCLO[3.2.1]OCTAN-8-ONE;240401-35-8;3-Aza-bicyclo[3.2.1]octan-8-one;3-Azabicyclo[3.2.1]octan-8-one(9CI);SCHEMBL7527940;DTXSID50593472;MFCD18817585;AKOS006354843;CS-0183364;EN300-153891;A878043

Chemical Property of 3-Azabicyclo[3.2.1]octan-8-one

Chemical Property:

• PSA: 29.10000
• LogP: 0.51370
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

3-Azabicyclo[3.2.1]octan-8-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CNCC1C2=O

Technology Process of 3-Azabicyclo[3.2.1]octan-8-one

There total 1 articles about 3-Azabicyclo[3.2.1]octan-8-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

3-benzyl-3-aza-bicyclo[3.2.1]octan-8-one (83507-33-9) → 3-azabicyclo[3.2.1]octan-8-one (240401-35-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2013.09.059

Reference yield:

3-azabicyclo[3.2.1]octan-8-one (240401-35-8) → methyl 8-hydroxy-8-(m-tolylethynyl)-3-azabicyclo[3.2.1]octane-3-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; dmap / tetrahydrofuran / 3 h / 20 °C / Cooling with ice

2.1: n-butyllithium / tetrahydrofuran; hexane / 1.5 h / -20 - 0 °C

2.2: 2 h / -78 - 5 °C

With dmap; n-butyllithium; triethylamine; In tetrahydrofuran; hexane;

DOI:10.1016/j.bmcl.2013.09.059

upstream raw materials:

3-benzyl-3-aza-bicyclo[3.2.1]octan-8-one

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