BIS(PHENYLSULFONYL)METHANE

Base Information

• Chemical Name: BIS(PHENYLSULFONYL)METHANE
• CAS No.: 3406-02-8
• Molecular Formula: C13H12O4S2
• Molecular Weight: 296.368
• Hs Code.: 29049090
• European Community (EC) Number: 222-291-5
• NSC Number: 47076
• UNII: X638VBN9T9
• DSSTox Substance ID: DTXSID10187659
• Nikkaji Number: J205.513I
• ChEMBL ID: CHEMBL1865838
• Mol file: 3406-02-8.mol

Synonyms:(Methylenebis(sulphonyl))bisbenzene;1,1'-(Methylenedisulfonyl)dibenzene;1-{[(Phenylsulfonyl)methyl]sulfonyl}benzene;

Chemical Property of BIS(PHENYLSULFONYL)METHANE

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 1.07E-11mmHg at 25°C
• Melting Point: 119-121 °C(lit.)
• Refractive Index: 1.593
• Boiling Point: 552.8 °C at 760 mmHg
• Flash Point: 374.4 °C
• PSA: 85.04000
• Density: 1.363 g/cm³
• LogP: 4.05330
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 296.01770121
• Heavy Atom Count: 19
• Complexity: 424

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bis(phenylsulfonyl)methane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of BIS(PHENYLSULFONYL)METHANE

There total 42 articles about BIS(PHENYLSULFONYL)METHANE 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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + thiophenol (108-98-5) → bis(phenylsulfonyl)methane (3406-02-8)

Guidance literature:

With dihydrogen peroxide; acetic acid;

Reference yield: 95.0%

bis(phenylthio)methane (3561-67-9) → bis(phenylsulfonyl)methane (3406-02-8)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 100 ℃; for 5h;

DOI:10.1055/s-0033-1339181

Reference yield: 91.0%

1-bromobis(phenylsulfonyl)methane (18087-04-2) → bis(phenylsulfonyl)methane (3406-02-8)

Guidance literature:

With sodium tetrahydroborate; diphenyl diselenide; In tetrahydrofuran; ethanol; Ambient temperature;

DOI:10.1016/S0040-4039(97)01230-6

upstream raw materials:

ethylmagnesium iodide

phenylsulfonyl fluoride

methyl magnesium iodide

diethyl ether

Downstream raw materials:

bis-benzenesulfonyl-p-tolylsulfanyl-methane

bis-benzenesulfonyl-(4-bromo-phenylsulfanyl)-methane

Bis-(phenylsulfonyl)-methyldiphenylphosphin

(E)-2-Benzenesulfonyl-6-hydroxy-6-phenyl-hex-4-enoic acid methyl ester

Refernces

• 1、 Delost, Michael D.,Njardarson, Jon T.. "Mild Darzens Annulations for the Assembly of Trifluoromethylthiolated (SCF3) Aziridine and Cyclopropane Structures". supporting information. p. 6121 - 6125. Retrieved 2021/08/16.
• 2、 McLaughlin, Calum,Slawin, Alexandra M. Z.,Smith, Andrew D.. "Base-free Enantioselective C(1)-Ammonium Enolate Catalysis Exploiting Aryloxides: A Synthetic and Mechanistic Study". supporting information. p. 15111 - 15119. Retrieved 2019/11/05.