Piperidine, 1-methyl-2-(3-pyridyl)-

Base Information

• Chemical Name: Piperidine, 1-methyl-2-(3-pyridyl)-
• CAS No.: 19730-04-2
• Molecular Formula: C₁₁H₁₆N₂
• Molecular Weight: 176.261
• NSC Number: 127744
• DSSTox Substance ID: DTXSID60902955
• Nikkaji Number: J414.176H
• Pharos Ligand ID: UA8Q6N7A8CBW
• ChEMBL ID: CHEMBL102246
• Mol file: 19730-04-2.mol

Synonyms:methylanabasine;methylanabasine, (S)-(-)-isomer

Chemical Property of Piperidine, 1-methyl-2-(3-pyridyl)-

Chemical Property:

• Vapor Pressure: 0.00959mmHg at 25°C
• Boiling Point: 264.6°C at 760 mmHg
• Flash Point: 113.9°C
• PSA: 16.13000
• Density: 1.007g/cm³
• LogP: 2.17630
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99%min ^*data from raw suppliers

3-(1-METHYLPIPERIDIN-2-YL)PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCCC1C2=CN=CC=C2

Technology Process of Piperidine, 1-methyl-2-(3-pyridyl)-

There total 2 articles about Piperidine, 1-methyl-2-(3-pyridyl)- 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:

1-(N-methyl)-1,5-pentanediamine (32752-52-6) → N-methylanabasine (24380-92-5,19730-04-2) + nornicotine (494-97-3,13450-58-3) + nicotin (54-11-5) + anatabine (581-49-7,126454-22-6)

Guidance literature:

With Nicotiana rustica; Further byproducts given; Enzymatic reaction;

DOI:10.1016/S0031-9422(99)00292-7

Reference yield:

1-Methyl-1'-oxy-[2,3']bipyridinyl-1-ium; chloride → 2,3'-bipyridine (581-50-0) + 1',2',3',4',5',6'-hexahydro[2,3']bipyridinyl (40864-10-6,10283-65-5) + rac-N-methylanabasine (1966-44-5,2055-12-1,19730-04-2)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; for 5h; Yield given. Yields of byproduct given; Ambient temperature;

upstream raw materials:

1-(N-methyl)-1,5-pentanediamine

Refernces

• 1、 Plaquevent, Jean-Christophe,Chichaoui, Ilhame. "From bipyridines to tobacco alkaloids and related compounds". . p. 369 - 379. Retrieved 2007/10/03.