Pyridyl p-tolylsulfonate

Base Information

• Chemical Name: Pyridyl p-tolylsulfonate
• CAS No.: 57785-86-1
• Molecular Formula: C12H11NO3S
• Molecular Weight: 249.29
• DSSTox Substance ID: DTXSID501271205
• Nikkaji Number: J922.818G
• Mol file: 57785-86-1.mol

Synonyms:57785-86-1;pyridyl p-tolylsulfonate;2-pyridyl tosylate;2-Pyridyl p-toluenesulfonate;SCHEMBL3100559;YXCSPMRGMHOTBN-UHFFFAOYSA-N;DTXSID501271205;2-Pyridinol, 2-(4-methylbenzenesulfonate)

Chemical Property of Pyridyl p-tolylsulfonate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.04596439
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=N2

Technology Process of Pyridyl p-tolylsulfonate

There total 8 articles about Pyridyl p-tolylsulfonate 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: 96.0%

2-hydroxypyridin (142-08-5) + p-toluenesulfonyl chloride (98-59-9) → pyridin-2-yl tosylate (57785-86-1)

Guidance literature:

In pyridine; at 45 ℃; for 24h;

DOI:10.1021/ja805810p

Reference yield: 82.0%

2-hydroxypyridin (142-08-5) + p-toluenesulfonyl chloride (98-59-9) → 1-tosyl-pyridin-2(1H)-one (29637-85-2) + pyridin-2-yl tosylate (57785-86-1)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1002/chem.200900313

Reference yield: 81.0%

2-hydroxypyridin (142-08-5) + p-toluenesulfonylanhydride (4124-41-8) → pyridin-2-yl tosylate (57785-86-1)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In dichloromethane; at 0 - 20 ℃; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1039/c6cc09685a

upstream raw materials:

2-Pyridone

p-toluenesulfonyl chloride

1-tosyl-pyridin-2(1H)-one

2-hydroxypyridin

Downstream raw materials:

2-Benzylpyridine

2-(2-methylphenyl)pyridine

4-(2-pyridinyl)anisole

2-acetylbenzoic acid 2-methyl-4-(3-trifluoromethylphenyl)-semicarbazone