5-Bromo-2-(methylthio)pyridine

Base Information

• Chemical Name: 5-Bromo-2-(methylthio)pyridine
• CAS No.: 51933-78-9
• Molecular Formula: C6H6BrNS
• Molecular Weight: 204.09
• Hs Code.: 2933399090
• European Community (EC) Number: 623-523-1
• DSSTox Substance ID: DTXSID30465421
• Nikkaji Number: J2.484.737C
• Wikidata: Q72448178
• Mol file: 51933-78-9.mol

Synonyms:51933-78-9;5-bromo-2-(methylthio)pyridine;5-Bromo-2-methylthiopyridine;5-bromo-2-methylsulfanyl-pyridine;5-Bromo-2-methylsulfanylpyridine;2-METHYLTHIO-5-BROMOPYRIDINE;Pyridine, 5-bromo-2-(methylthio)-;5-bromo-2-(methylsulfanyl)pyridine;MFCD03411571;SCHEMBL211656;5-bromo-2-methylthio-pyridine;DTXSID30465421;5-bromo-2-methylsulfanyl pyridine;CFBYLVDSPYTKPR-UHFFFAOYSA-N;3-Bromo-6-methylsulfanyl-pyridine;AKOS010298587;AB14151;AM81185;PS-3846;5-Bromo-2-(methylthio)pyridine, 97%;SY015731;4-CHLORO-6-NITRO-M-PHENYLENEDIAMINE;A7640;CS-0007564;FT-0645419;EN300-261023;J-516846

Chemical Property of 5-Bromo-2-(methylthio)pyridine

Chemical Property:

• Vapor Pressure: 0.0256mmHg at 25°C
• Melting Point: 36-41 °C
• Refractive Index: 1.629
• Boiling Point: 255.8 °C at 760 mmHg
• PKA: 1.26±0.10(Predicted)
• Flash Point: 108.5
• PSA: 38.19000
• Density: 1.61 g/cm³
• LogP: 2.56600
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• 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:

97% ^*data from raw suppliers

5-Bromo-2-methylthiopyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=C(C=C1)Br

Technology Process of 5-Bromo-2-(methylthio)pyridine

There total 10 articles about 5-Bromo-2-(methylthio)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: 94.0%

2,5-dibromopyridine (624-28-2) + sodium thiomethoxide (5188-07-8) → 5-bromo-2-(methylsulfanyl)pyridine (51933-78-9)

Guidance literature:

In N,N-dimethyl-formamide; at 0 ℃; for 3.5h; Product distribution / selectivity; Inert atmosphere;

Reference yield: 93.0%

2,5-dibromopyridine (624-28-2) → 5-bromo-2-(methylsulfanyl)pyridine (51933-78-9)

Guidance literature:

With mesna; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1016/S0040-4020(01)96539-1

Reference yield: 88.0%

2,5-dibromopyridine (624-28-2) + Dimethyldisulphide (624-92-0) → 5-bromo-2-(methylsulfanyl)pyridine (51933-78-9)

Guidance literature:

2,5-dibromopyridine; With n-butyllithium; In hexane; toluene; at -78 ℃; for 2h; Inert atmosphere;

Dimethyldisulphide; In hexane; toluene; for 1h;

upstream raw materials:

2,5-dibromopyridine

sodium thiomethoxide

Dimethyldisulphide

3-Bromopyridine

Downstream raw materials:

5-bromopyridin-2-ol

2,5-bis(methylsulfanyl)pyridine

2-methoxy,5-methylthiopyridine

5-bromo-2-(methylsulfonyl)pyridine