2-[(Pyridin-4-ylmethyl)sulfanyl]pyridine

Base Information

• Chemical Name: 2-[(Pyridin-4-ylmethyl)sulfanyl]pyridine
• CAS No.: 2127-08-4
• Molecular Formula: C11H10N2S
• Molecular Weight: 202.2755
• NSC Number: 106687
• DSSTox Substance ID: DTXSID60295995
• Wikidata: Q82036277
• Mol file: 2127-08-4.mol

Synonyms:2-[(pyridin-4-ylmethyl)sulfanyl]pyridine;2127-08-4;2-(pyridin-4-ylmethylsulfanyl)pyridine;2-{[(pyridin-4-yl)methyl]sulfanyl}pyridine;NSC106687;DTXSID60295995;2-((pyridin-4-ylmethyl)thio)pyridine;AKOS040707027;NSC-106687;F6616-1322

Chemical Property of 2-[(Pyridin-4-ylmethyl)sulfanyl]pyridine

Chemical Property:

• Vapor Pressure: 2.6E-05mmHg at 25°C
• Boiling Point: 369°C at 760 mmHg
• Flash Point: 177°C
• Density: 1.21g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.05646950
• Heavy Atom Count: 14
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)SCC2=CC=NC=C2

Technology Process of 2-[(Pyridin-4-ylmethyl)sulfanyl]pyridine

There total 2 articles about 2-[(Pyridin-4-ylmethyl)sulfanyl]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:

pyridine-2-thione (2637-34-5,646031-56-3) + 4-picolylchloride hydrochloride (1822-51-1) → 4--pyridin (2127-08-4)

Guidance literature:

pyridine-2-thione; With sodium ethanolate; In ethanol; at 20 ℃; for 0.166667h;

4-picolylchloride hydrochloride; In ethanol; at 20 ℃; for 5h;

DOI:10.1002/anie.201602264

Reference yield:

→ 4--pyridin (2127-08-4)

Guidance literature:

4-Chlormethyl-pyridin-hydrochlorid, 2-Mercapto-pyridin, aethanol. KOH, Siedetemp.;

DOI:10.1021/jm00330a005

Reference yield:

4--pyridin (2127-08-4) → 2-(pyridin-4-ylmethyl)pyridine (78903-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.5 h / 20 °C

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

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

DOI:10.1002/anie.201602264

upstream raw materials:

pyridine-2-thione

4-picolylchloride hydrochloride

Downstream raw materials:

2-(pyridin-4-ylmethyl)pyridine

Refernces