9-Benzyl-9-azabicyclo[3.3.1]nonane

Base Information

• Chemical Name: 9-Benzyl-9-azabicyclo[3.3.1]nonane
• CAS No.: 57659-50-4
• Molecular Formula: C15H21N
• Molecular Weight: 215.338
• DSSTox Substance ID: DTXSID20515282
• Wikidata: Q82376077
• Mol file: 57659-50-4.mol

Synonyms:9-BENZYL-9-AZABICYCLO[3.3.1]NONANE;57659-50-4;SCHEMBL4870895;DTXSID20515282;FT-0733854

Chemical Property of 9-Benzyl-9-azabicyclo[3.3.1]nonane

Chemical Property:

• PSA: 3.24000
• LogP: 3.53150
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 215.167399674
• Heavy Atom Count: 16
• Complexity: 198

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCCC(C1)N2CC3=CC=CC=C3

Technology Process of 9-Benzyl-9-azabicyclo[3.3.1]nonane

There total 6 articles about 9-Benzyl-9-azabicyclo[3.3.1]nonane 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: 95.0%

9-benzyl-3-oxo-9-azoniabicyclo[3.3.1]nonane bromide → 9-benzyl-9-azabicyclo<3.3.1>nonane (57659-50-4)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In ethanol; at 215 ℃; under 11251.1 Torr; Autoclave; High pressure;

Reference yield: 81.0%

2-(9-benzyl-9-azabicyclo[3,3,1]nonane-3-ylidene)-1-p-toluenesulfonylhydrazine sodium salt → 9-benzyl-9-azabicyclo<3.3.1>nonane (57659-50-4)

Guidance literature:

In diethylene glycol dimethyl ether; for 2h; Concentration; Solvent; Reflux;

Reference yield: 80.0%

9-benzyl-9-azabicyclo[3.3.1]nonan-3-one (2291-58-9) → 9-benzyl-9-azabicyclo<3.3.1>nonane (57659-50-4)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In diethylene glycol;

DOI:10.1016/S0040-4020(01)88870-0

upstream raw materials:

9-benzyl-9-azabicyclo[3.3.1]nonan-3-one

benzylamine

Glutaraldehyde

Downstream raw materials:

N-benzoyl-9-azabicyclo-<3,3,1>-nonane

9-aza-bicyclo[3.3.1]nonane

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