2-(3-Pyridyl)-1,4-ethanopiperidine

Base Information

• Chemical Name: 2-(3-Pyridyl)-1,4-ethanopiperidine
• CAS No.: 91556-75-1
• Molecular Formula: C₁₂H₁₆N₂
• Molecular Weight: 188.272
• UNII: Q2L6T24QLT
• DSSTox Substance ID: DTXSID40436425
• Nikkaji Number: J1.163.364A
• Wikipedia: RJR-2429
• Wikidata: Q7276853
• Pharos Ligand ID: 4W8CZFYVXQ8B
• ChEMBL ID: CHEMBL105374
• Mol file: 91556-75-1.mol

Synonyms:2-(3-pyridinyl)-1-azabicyclo(2.2.2)octane;RJR 2429;RJR-2429

Chemical Property of 2-(3-Pyridyl)-1,4-ethanopiperidine

Chemical Property:

• Boiling Point: 295.6±15.0 °C(Predicted)
• PKA: 9.41±0.40(Predicted)
• PSA: 16.13000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 3.78030
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: 5 mg/mL
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.131348519
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

98%Min ^*data from raw suppliers

RJR2429 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN2CCC1CC2C3=CN=CC=C3
• Uses: RJR 2429 is a potent AChR agonist.

Technology Process of 2-(3-Pyridyl)-1,4-ethanopiperidine

There total 6 articles about 2-(3-Pyridyl)-1,4-ethanopiperidine 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: 4.1%

→ 3--pyridin (91556-75-1)

Guidance literature:

Reference yield:

2BrH*C12H18Br2N2 → 3--pyridin (91556-75-1)

Guidance literature:

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

DOI:10.1021/jo800028q

Reference yield:

1-(pyridin-3-yl)-2-(tetrahydro-2H-pyran-4-yl)ethanamine (177745-42-5) → 3--pyridin (91556-75-1)

Guidance literature:

With hydrogen bromide; at 100 ℃; pressure;

upstream raw materials:

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

4-(methanesulfonyloxymethyl)tetrahydropyran

C₁₂H₁₈Br₂N₂