4-Methylphenyl 2-pyridinylmethyl sulfone

Base Information

• Chemical Name: 4-Methylphenyl 2-pyridinylmethyl sulfone
• CAS No.: 58414-96-3
• Molecular Formula: C13H13NO2S
• Molecular Weight: 247.318
• DSSTox Substance ID: DTXSID70403549
• Mol file: 58414-96-3.mol

Synonyms:58414-96-3;4-methylphenyl 2-pyridinylmethyl sulfone;2-[(4-methylbenzenesulfonyl)methyl]pyridine;4-Methyl-1-((2-pyridylmethyl)sulfonyl)benzene;2-[(4-methylphenyl)sulfonylmethyl]pyridine;2-(tosylmethyl)pyridine;DTXSID70403549;MFCD00955152;AKOS015994463;MS-7483;4-methyl-1-((2-pyridylmethyl)sulfonyl)benzene, AldrichCPR

Chemical Property of 4-Methylphenyl 2-pyridinylmethyl sulfone

Chemical Property:

• PSA: 55.41000
• LogP: 3.44470
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 326

Purity/Quality:

4-METHYLPHENYL 2-PYRIDINYLMETHYL 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)CC2=CC=CC=N2

Technology Process of 4-Methylphenyl 2-pyridinylmethyl sulfone

There total 9 articles about 4-Methylphenyl 2-pyridinylmethyl 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: 99.0%

2-<(4-methylphenyl)thiomethyl>-pyridine (33984-18-8) → 2-pyridylmethyl 4-tolyl sulfone (58414-96-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃;

DOI:10.1002/adsc.201000941

Reference yield: 99.0%

1-(methylsulfonyl)-6-(tosylmethyl)-1,2-dihydropyridine → 2-pyridylmethyl 4-tolyl sulfone (58414-96-3)

Guidance literature:

With potassium hydroxide; In methanol; Reflux;

DOI:10.1039/c5cc04871k

Reference yield: 18.0%

2-bromo-pyridine (109-04-6) + Methyl p-tolyl sulfone (3185-99-7) → 2-pyridylmethyl 4-tolyl sulfone (58414-96-3)

Guidance literature:

2-bromo-pyridine; Methyl p-tolyl sulfone; With bis(dibenzylideneacetone)-palladium⁽⁰⁾; XPhos; In tetrahydrofuran; at 20 ℃; for 0.166667h; Sealed tube; Inert atmosphere;

With C₉H₁₉N*LiCl*ZnCl₂; In trifluoroacetic acid; at 130 ℃; for 2h; Inert atmosphere; Sealed tube; Microwave irradiation;

DOI:10.1021/acs.joc.6b01062

upstream raw materials:

2-chloromethylpyridine

sodium 4-methylbenzenesulfinate

4-methyl-N'-(pyridin-2-ylmethylene)benzenesulfonohydrazide

2-<(4-methylphenyl)thiomethyl>-pyridine

Downstream raw materials:

C₁₃H₁₃NO₃S

2-Methylsulfanyl-10-(toluene-4-sulfonyl)-pyrimido[4,5-b]indolizine

2-Chloro-10-(toluene-4-sulfonyl)-pyrimido[4,5-b]indolizine

Refernces

• 1、 Undeela, Sridhar,Thadkapally, Srinivas,Nanubolu, Jagadeesh Babu,Singarapu, Kiran Kumar,Menon, Rajeev S.. "Catalyst-controlled divergence in cycloisomerisation reactions of N-propargyl-N-vinyl sulfonamides: Gold-catalysed synthesis of 2-sulfonylmethyl pyrroles and dihydropyridines". . p. 13748 - 13751. Retrieved 2015/09/07.
• 2、 Saito, Katsuhiro,Ishihara, Hiraku. "THERMOLYSIS OF SODIUM SALTS OF TOSYLHYDRAZONES OF SOME HETEROCYCLIC ALDEHYDES IN THE PRESENCE OF SILVER CHROMATE: 1,3 NC MIGRATION OF TOSYL GROUP". . p. 1891 - 1898. Retrieved 2007/10/02.