5-Bromo-2-(methylsulfonyl)pyridine

Base Information

• Chemical Name: 5-Bromo-2-(methylsulfonyl)pyridine
• CAS No.: 98626-95-0
• Molecular Formula: C6H6BrNO2S
• Molecular Weight: 236.089
• Hs Code.: 2933399090
• European Community (EC) Number: 895-816-4
• DSSTox Substance ID: DTXSID80540656
• Mol file: 98626-95-0.mol

Synonyms:5-Bromo-2-(methylsulfonyl)pyridine;98626-95-0;5-bromo-2-methylsulfonylpyridine;5-bromo-2-methanesulfonylpyridine;5-Bromo-2-methylsulphonylpyridine;5-BROMO-2-METHANESULFONYL-PYRIDINE;MFCD04974510;Pyridine, 5-bromo-2-(methylsulfonyl)-;SCHEMBL386709;DTXSID80540656;5-bromo-2-methylsulfonyl pyridine;5-bromo-2-methylsulfonyl-pyridine;QUSHOBXANACYJY-UHFFFAOYSA-N;3-bromo-6-methanesulfonyl-pyridine;AMY37742;YDA62695;5-Bromo-2-(methanesulfonyl)pyridine;AKOS015834680;MB03438;PS-3845;SY030809;2-(METHYLSULPHONYL)-5-BROMOPYRIDINE;CS-0046862;5-bromo-2-methanesulfonyl-pyridine, AldrichCPR;EN300-316935;P10314;J-516843

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 95-96 °C
• Boiling Point: 366.287oC at 760 mmHg
• PKA: -4.00±0.22(Predicted)
• Flash Point: 175.324oC
• PSA: 55.41000
• Density: 1.679g/cm3
• LogP: 2.32840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 234.93026
• Heavy Atom Count: 11
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2-(methylsulfonyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=NC=C(C=C1)Br

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

There total 5 articles about 5-Bromo-2-(methylsulfonyl)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: 100.0%

5-bromo-2-(methylsulfanyl)pyridine (51933-78-9) → 5-bromo-2-(methylsulfonyl)pyridine (98626-95-0)

Guidance literature:

With Oxone; In water; isopropyl alcohol; at 20 ℃;

Reference yield: 77.0%

2,5-dibromopyridine (624-28-2) + Dimethyldisulphide (624-92-0) → 5-bromo-2-(methylsulfonyl)pyridine (98626-95-0)

Guidance literature:

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

Dimethyldisulphide; In hexane; toluene; at -78 ℃; for 1h;

With Oxone; In methanol; water; toluene;

DOI:10.1016/S0040-4039(00)00664-X

Reference yield:

5-bromo-2-(methanesulfinyl)pyridine (1193244-90-4) → C6H6BrNOS (1193244-90-4) + (S)-5-bromo-2-(methylsulfinyl)pyridine (1193244-90-4) + 5-bromo-2-(methylsulfonyl)pyridine (98626-95-0)

Guidance literature:

With manganese(II) triflate; 1-Adamantanecarboxylic acid; C₃₂H₃₈N₄O₂; dihydrogen peroxide; In water; acetonitrile; at -30 - 20 ℃; for 0.5h; stereoselective reaction; Inert atmosphere; Resolution of racemate;

DOI:10.1016/j.tetlet.2017.12.012

upstream raw materials:

5-bromo-2-(methylsulfanyl)pyridine

2,5-dibromopyridine

Dimethyldisulphide

5-bromo-2-chloropyridine

Downstream raw materials:

3-[(3S)-1-methyl-2-oxo-pyrrolidin-3-yl]oxy-N-(5-methylpyrazin-2-yl)-5-(6-methylsulfonylpyridin-3-yl)oxy-benzamide

C₂₁H₁₉NO₆S