1-Methyl-2-[(phenylsulfonyl)methyl]benzene

Base Information

• Chemical Name: 1-Methyl-2-[(phenylsulfonyl)methyl]benzene
• CAS No.: 71996-48-0
• Molecular Formula: C14H14 O2 S
• Molecular Weight: 246.33
• DSSTox Substance ID: DTXSID90400792
• Nikkaji Number: J676.620J
• Wikidata: Q82203811
• Mol file: 71996-48-0.mol

Synonyms:1-Methyl-2-[(phenylsulfonyl)methyl]benzene;71996-48-0;1-(benzenesulfonylmethyl)-2-methylbenzene;2-Methylbenzyl phenyl sulfone;2-Methylbenzylphenyl sulfone;SCHEMBL2808506;DTXSID90400792;AKOS015889068;1-methyl-2-(phenylsulfonylmethyl)benzene;FT-0641385;1-Methyl-2-[(phenylsulfonyl)methyl]benzene, 97%;1-Methyl-2-((phenylsulfonyl)methyl)-benz ene,97%;Z291973306

Chemical Property of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene

Chemical Property:

• Vapor Pressure: 2.15E-07mmHg at 25°C
• Melting Point: 81-83 °C(lit.)
• Refractive Index: 1.582
• Boiling Point: 435.9°C at 760 mmHg
• Flash Point: 271°C
• PSA: 42.52000
• Density: 1.183g/cm³
• LogP: 4.04970
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.07145086
• Heavy Atom Count: 17
• Complexity: 323

Purity/Quality:

99.90% ^*data from raw suppliers

1-Methyl-2-[(phenylsulfonyl)methyl]benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CS(=O)(=O)C2=CC=CC=C2
• Uses: 1-Methyl-2-[(phenylsulfonyl)methyl]benzene (2-Methylbenzyl phenyl sulfone) was used in the synthesis of nitrile derivatives.

Technology Process of 1-Methyl-2-[(phenylsulfonyl)methyl]benzene

There total 5 articles about 1-Methyl-2-[(phenylsulfonyl)methyl]benzene 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: 95.0%

sodium benzenesulfonate (873-55-2) + methyl (2-methylphenyl)methyl carbonate → 1-methyl-2-((phenylsulfonyl)methyl)benzene (71996-48-0)

Guidance literature:

With bis[2-(diphenylphosphino)phenyl] ether; bis(η3-allyl-μ-chloropalladium(II)); In dimethyl sulfoxide; at 80 ℃; for 3h;

DOI:10.1021/ol0509787

Reference yield: 82.0%

N,N,N-trimethyl-1-(o-tolyl)methanaminium iodide (117867-97-7) + benzenesufonyl hydrazide (80-17-1) → 1-methyl-2-((phenylsulfonyl)methyl)benzene (71996-48-0)

Guidance literature:

With caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetlet.2020.151975

Reference yield: 72.0%

sodium benzenesulfonate (873-55-2) + 2-methylbenzyl bromide (89-92-9) → 1-methyl-2-((phenylsulfonyl)methyl)benzene (71996-48-0)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In acetonitrile; Reflux; Inert atmosphere;

DOI:10.1021/acs.joc.8b02911

upstream raw materials:

sodium benzenesulfonate

2-methylbenzyl bromide

N,N,N-trimethyl-1-(o-tolyl)methanaminium iodide

benzenesufonyl hydrazide

Downstream raw materials:

(E)-2,2'-dimethylstilbene

cis-2,2'-dimethylstilbene

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