4-Methylphenyl 5-nitro-2-pyridinyl sulfone

Base Information

• Chemical Name: 4-Methylphenyl 5-nitro-2-pyridinyl sulfone
• CAS No.: 91974-22-0
• Molecular Formula: C₁₂H₁₀N₂O₄S
• Molecular Weight: 278.288
• DSSTox Substance ID: DTXSID301332471
• Nikkaji Number: J2.907.044J
• ChEMBL ID: CHEMBL1431608
• Mol file: 91974-22-0.mol

Synonyms:91974-22-0;4-methylphenyl 5-nitro-2-pyridinyl sulfone;2-(4-methylbenzenesulfonyl)-5-nitropyridine;2-(4-methylphenyl)sulfonyl-5-nitropyridine;MLS001165624;SMR000550074;5-Nitro-2-tosylpyridine;5-nitro-2-tosyl-pyridine;Oprea1_797223;ksc-8-109;CHEMBL1431608;BDBM54428;cid_1472329;DTXSID301332471;HMS2885A11;KUC104578N;MFCD02102589;AKOS005086308;2-(4-methylphenyl)sulfonyl-5-nitro-pyridine;MLS-0319535.0001;2R-0608

Chemical Property of 4-Methylphenyl 5-nitro-2-pyridinyl sulfone

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 278.03612798
• Heavy Atom Count: 19
• Complexity: 418

Purity/Quality:

4-METHYLPHENYL 5-NITRO-2-PYRIDINYL SULFONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-Methylphenyl 5-nitro-2-pyridinyl sulfone

There total 4 articles about 4-Methylphenyl 5-nitro-2-pyridinyl sulfone 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: 89.0%

2-chloro-5-nitropyridine (4548-45-2) + sodium 4-methylbenzenesulfinate (824-79-3) → 5-nitro-2-(toluene-4-sulfonyl)pyridine (91974-22-0)

Guidance literature:

With tetrabutyl-ammonium chloride; In N,N-dimethyl acetamide; at 100 ℃; for 24h;

DOI:10.1021/ol102629c

Reference yield: 60.0%

2-chloro-5-nitropyridine (4548-45-2) + 4-methylphenylboronic acid (5720-05-8) → 5-nitro-2-(toluene-4-sulfonyl)pyridine (91974-22-0)

Guidance literature:

4-methylphenylboronic acid; With 1,4-diazabicyclo[2.2.2]octane-triethylenediamine-bis(sulfur dioxide); palladium diacetate; In 1,4-dioxane; methanol; at 80 ℃; for 0.5h; Inert atmosphere;

With triethylamine; In 1,4-dioxane; deuteromethanol; at 20 ℃; for 0.0166667h; Inert atmosphere;

2-chloro-5-nitropyridine; In N,N-dimethyl acetamide; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201508370

Reference yield:

5-nitro-2-(p-tolylthio)pyridine (200930-72-9) → 5-nitro-2-(toluene-4-sulfonyl)pyridine (91974-22-0)

Guidance literature:

With water; dihydrogen peroxide; acetic acid;

upstream raw materials:

5-nitro-2-(p-tolylthio)pyridine

2-chloro-5-nitropyridine

sodium 4-methylbenzenesulfinate

4-methylphenylboronic acid