Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-

Base Information

• Chemical Name: Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-
• CAS No.: 87228-53-3
• Molecular Formula: C16H16O3S2
• Molecular Weight: 320.433
• DSSTox Substance ID: DTXSID10403063
• Mol file: 87228-53-3.mol

Synonyms:87228-53-3;Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-;DTXSID10403063

Chemical Property of Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 320.05408672
• Heavy Atom Count: 21
• Complexity: 439

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C2=CC=CC=C2)SC

Technology Process of Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl-

There total 7 articles about Ethanone, 2-[(4-methylphenyl)sulfonyl]-2-(methylthio)-1-phenyl- 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%

benzoic acid phenyl ester (93-99-2) + methylthiomethyl p-tolyl sulfone (59662-65-6) → 2-Methylsulfanyl-1-phenyl-2-(toluene-4-sulfonyl)-ethanone (87228-53-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 48h; Ambient temperature;

DOI:10.1016/S0040-4039(00)94194-7

Reference yield: 90.0%

2-(dimethyl-λ4-sulfanylidene)-1-phenyl-2-tosylethan-1-one → 2-Methylsulfanyl-1-phenyl-2-(toluene-4-sulfonyl)-ethanone (87228-53-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 100 ℃; for 2h;

DOI:10.1055/a-1541-6271

Reference yield: 71.0%

benzoic acid ethyl ester (93-89-0,99341-95-4) + methylthiomethyl p-tolyl sulfone (59662-65-6) → 2-Methylsulfanyl-1-phenyl-2-(toluene-4-sulfonyl)-ethanone (87228-53-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; Product distribution; 0 deg C, 2 h, RT, 20 h; different reactants, reagents, solvents, reaction times and temperatures;

DOI:10.1246/cl.1983.767

upstream raw materials:

benzoic acid phenyl ester

methylthiomethyl p-tolyl sulfone

benzoic acid ethyl ester

sodium tosylate

Downstream raw materials:

S-methyl 2-oxo-2-phenylethanethioate

2-Methylsulfanyl-1-phenyl-2-(toluene-4-sulfonyl)-ethanol

(diethoxymethyl)benzene

benzaldehyde