Pyridine, 3-bromo-4-(methylthio)-

Base Information

• Chemical Name: Pyridine, 3-bromo-4-(methylthio)-
• CAS No.: 82257-12-3
• Molecular Formula: C₆H₆BrNS
• Molecular Weight: 204.09
• European Community (EC) Number: 888-425-5
• DSSTox Substance ID: DTXSID40466500
• Wikidata: Q82293074
• Mol file: 82257-12-3.mol

Synonyms:Pyridine, 3-bromo-4-(methylthio)-;82257-12-3;3-bromo-4-methylsulfanylpyridine;SCHEMBL8176314;DTXSID40466500;3-BROMO-4-(METHYLSULFANYL)PYRIDINE;EN300-5015516

Chemical Property of Pyridine, 3-bromo-4-(methylthio)-

Chemical Property:

• PSA: 38.19000
• LogP: 2.56600
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.94043
• Heavy Atom Count: 9
• Complexity: 89.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C=NC=C1)Br

Technology Process of Pyridine, 3-bromo-4-(methylthio)-

There total 11 articles about Pyridine, 3-bromo-4-(methylthio)- 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: 88.0%

dibromo-3,4 pyridine (13534-90-2) + sodium thiomethoxide (5188-07-8) → 3-bromo-4-methylthio-pyridine (82257-12-3)

Guidance literature:

In N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.1002/prac.19933350309

Reference yield: 85.0%

3-bromo-4-chloropyridine (36953-42-1) + sodium thiomethoxide (5188-07-8) → 3-bromo-4-methylthio-pyridine (82257-12-3)

Guidance literature:

In methanol; for 2h; Heating;

Reference yield: 65.0%

Dimethyldisulphide (624-92-0) + [4-2H1]-3-bromopyridine (188824-87-5) → 3-bromo-4-methylthio-pyridine (82257-12-3) + C6H6(2)HNS

Guidance literature:

[4-2H₁]-3-bromopyridine; With tert.-butyl lithium; In tetrahydrofuran; at -78 ℃;

Dimethyldisulphide; In tetrahydrofuran;

DOI:10.1055/s-2004-831337

upstream raw materials:

dibromo-3,4 pyridine

sodium thiomethoxide

3-bromo-4-chloropyridine

3-Bromo-1H-pyridine-4-thione

Refernces

• 1、 Pierrat, Philippe,Gros, Philippe,Fort, Yves. "Unusual t-BuLi induced ortholithiation versus halogen-lithium exchange in bromopyridines: Two alternative strategies for functionalization". . p. 2319 - 2322. Retrieved 2007/10/03.
• 2、 Trecourt, Francois,Queguiner, Guy. "Synthese de xanthones et thioxanthones a deux noyaux heteroatomiques". . p. 912 - 942. Retrieved 2007/10/02.