2-(Pyridin-3-YL)-1-azabicyclo[3.2.2]nonane

Base Information

• Chemical Name: 2-(Pyridin-3-YL)-1-azabicyclo[3.2.2]nonane
• CAS No.: 700834-58-8
• Molecular Formula: C₁₃H₁₈N₂
• Molecular Weight: 202.299
• UNII: NF9LS47A5E
• DSSTox Substance ID: DTXSID40435998
• Nikkaji Number: J2.593.236F
• Wikipedia: TC-1698
• Wikidata: Q7669593
• Pharos Ligand ID: GDKWTYV7PKQK
• ChEMBL ID: CHEMBL2151442
• Mol file: 700834-58-8.mol

Synonyms:2-(3-pyridyl)-1-azabicyclo(3.2.2)nonane;TC-1698

Chemical Property of 2-(Pyridin-3-YL)-1-azabicyclo[3.2.2]nonane

Chemical Property:

• PSA: 16.13000
• LogP: 4.17040
• Storage Temp.: Desiccate at RT
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

98%Min ^*data from raw suppliers

TC 1698 dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N2CCC1CC2)C3=CN=CC=C3
• Uses: TC 1698 is a selective AChR α7 agonist.

Technology Process of 2-(Pyridin-3-YL)-1-azabicyclo[3.2.2]nonane

There total 8 articles about 2-(Pyridin-3-YL)-1-azabicyclo[3.2.2]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:

2BrH*C13H20Br2N2 → TC-1698 (700834-58-8)

Guidance literature:

With potassium carbonate; In ethanol; for 10h; Heating;

DOI:10.1021/jo800028q

Reference yield:

2BrH*C13H20Br2N2 → (R)-2-(pyridin-3-yl)-1-azabicyclo[3.2.2]nonane (787587-13-7,700834-58-8)

Guidance literature:

With potassium carbonate; In ethanol; for 16h; Heating;

DOI:10.1021/jo800028q

Reference yield:

1-(pyridin-3-yl)-3-(tetrahydro-2H-pyran-4-yl)propan-1-amine (700834-61-3) → TC-1698 (700834-58-8)

Guidance literature:

1-(pyridin-3-yl)-3-(tetrahydro-2H-pyran-4-yl)propan-1-amine; With hydrogen bromide; at 120 ℃;

With ethanol; potassium carbonate; Heating;

DOI:10.1124/jpet.103.061655

upstream raw materials:

1-(pyridin-3-yl)-3-(tetrahydro-2H-pyran-4-yl)propan-1-amine

N-(1-(pyridin-3-yl)ethylidene)propan-2-amine

1-(pyridin-3-yl)-3-(tetrahydro-2H-pyran-4-yl)propan-1-one

1-(pyridin-3-yl)-3-(tetrahydro-2H-pyran-4-yl)propan-1-one oxime