2-(Pyridin-3-ylmethyl)pyridine

Base Information

• Chemical Name: 2-(Pyridin-3-ylmethyl)pyridine
• CAS No.: 128802-93-7
• Molecular Formula: C11H10N2
• Molecular Weight: 170.21
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60597481
• Nikkaji Number: J2.891.845C
• Wikidata: Q82493032
• Mol file: 128802-93-7.mol

Synonyms:2-(Pyridin-3-ylmethyl)pyridine;128802-93-7;3-[(pyridin-2-yl)methyl]pyridine;SCHEMBL2749985;DTXSID60597481;2-[(Pyridin-3-yl)methyl]pyridine;AKOS016005621;AM803138;DB-062660

Chemical Property of 2-(Pyridin-3-ylmethyl)pyridine

Chemical Property:

• PSA: 25.78000
• LogP: 2.06740
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

98%min ^*data from raw suppliers

2-(Pyridin-3-ylmethyl)pyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=NC(=C1)CC2=CN=CC=C2

Technology Process of 2-(Pyridin-3-ylmethyl)pyridine

There total 5 articles about 2-(Pyridin-3-ylmethyl)pyridine 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: 84.0%

3-Bromopyridine (626-55-1,163928-56-1) + potassium 2-(pyridin-2-yl)acetate (106966-98-7) → 1-(2-pyridyl)-1-(3-pyridyl)methane (128802-93-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In diethylene glycol dimethyl ether; at 150 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ja107103b

Reference yield: 72.0%

2-((pyridin-3-ylmethyl)sulfinyl)pyridine → 1-(2-pyridyl)-1-(3-pyridyl)methane (128802-93-7)

Guidance literature:

With tert-butylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1002/anie.201602264

Reference yield:

pyridine-2-thione (2637-34-5,646031-56-3) → 1-(2-pyridyl)-1-(3-pyridyl)methane (128802-93-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium ethanolate / ethanol / 0.17 h / 20 °C

1.2: 72 h / 20 °C

2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1 h / 20 °C

3.1: tert-butylmagnesium chloride / tetrahydrofuran / 1 h / 20 °C

With tert-butylmagnesium chloride; sodium ethanolate; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1002/anie.201602264

upstream raw materials:

3-Bromopyridine

potassium 2-(pyridin-2-yl)acetate

pyridine-2-thione

3-chloromethylpyridinium chloride