Ethyl phenyl sulfone

Base Information

• Chemical Name: Ethyl phenyl sulfone
• CAS No.: 599-70-2
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 29049090
• European Community (EC) Number: 209-972-2
• DSSTox Substance ID: DTXSID00870664
• Nikkaji Number: J102.340C
• Wikidata: Q106902881
• ChEMBL ID: CHEMBL162438
• Mol file: 599-70-2.mol

Synonyms:Ethyl phenyl sulfone;599-70-2;Ethylsulfonylbenzene;(Ethylsulfonyl)benzene;ethyl phenyl sulphone;Sulfone, ethyl phenyl;(ethanesulfonyl)benzene;(Ethylsulphonyl)benzene;Benzene, (ethylsulfonyl)-;ethylphenyl sulfone;EINECS 209-972-2;Phenyl ethyl sulfone;ethylsulonylbenzene;3blu;MFCD00025081;Ethanesulfonyl-benzene;(Ethylsulfonyl)benzene #;Ethyl phenyl sulfone, 97%;SCHEMBL180713;CHEMBL162438;Benzene, methyl(methylsulfonyl)-;VBQUDDWATQWCPP-UHFFFAOYSA-;DTXSID00870664;CHEBI:194780;AKOS006221858;PS-6253;AC-16483;CS-0204411;E0427;FT-0626234;D90513;A832557;W-105290;72428-03-6

Chemical Property of Ethyl phenyl sulfone

Chemical Property:

• Appearance/Colour: white to light yellow crystalline powder
• Vapor Pressure: 0.000926mmHg at 25°C
• Melting Point: 35-40 °C(lit.)
• Refractive Index: 1.518
• Boiling Point: 313.2 °C at 760 mmHg
• Flash Point: 175.1 °C
• PSA: 42.52000
• Density: 1.152g/cm³
• LogP: 2.56100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 195

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl phenyl sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: CCS(=O)(=O)C1=CC=CC=C1
• Uses: Ethyl phenyl sulfone may be used in the preparation of (±)-α-multistriatin.

Technology Process of Ethyl phenyl sulfone

There total 66 articles about Ethyl phenyl 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: 100.0%

Ethyl phenyl sulfide (622-38-8) → ethyl phenyl sulfone (599-70-2)

Guidance literature:

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In methanol; water; at 40 ℃;

DOI:10.1039/b912521n

Reference yield: 95.0%

(Z)-1,2-bis(phenylsulfonyl)ethene (963-15-5) → ethyl phenyl sulfone (599-70-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 0.0166667h;

DOI:10.1080/00397919608003606

Reference yield: 93.0%

Ethyl phenyl sulfide (622-38-8) → ethylphenylsulfoxide (51207-25-1,67529-33-3,104113-36-2,4170-80-3) + ethyl phenyl sulfone (599-70-2)

Guidance literature:

With C₄₄H₅₅ClMnN₄O₂⁽²⁺⁾*2I^(1-); dihydrogen peroxide; In water; for 0.5h; Reagent/catalyst; Temperature; Time; chemoselective reaction;

DOI:10.1007/s13738-012-0120-5

upstream raw materials:

ethyl bromide

sodium benzenesulfonate

diethyl sulfate

diethyl ether

Downstream raw materials:

1,1-Diphenyl-2-(benzolsulfonyl)propen

1,1-Diphenyl-2-(benzolsulfonyl)propan-1-ol

2-Phenylsulfonyleicosan-3-on

1-phenylsulphonyl-1-trimethylsilylethane

Refernces

• 1、 Djeghidjegh, N,Simonet, J.. "On the Unexpected Cathodic Electrodimerization of Phenyl Vinyl Sulphone in slightly Protic Media: the Formation of 1,4-Bisphenylsulphonylbut-2-ene". . p. 1317 - 1318. Retrieved 1988.
• 2、 Anselmi, Silvia,Liu, Siyu,Kim, Seong-Heun,Barry, Sarah M.,Moody, Thomas S.,Castagnolo, Daniele. "A mild and chemoselective CALB biocatalysed synthesis of sulfoxides exploiting the dual role of AcOEt as solvent and reagent". supporting information. p. 156 - 161. Retrieved 2021/01/14.
• 3、 Cheng, Xiuyan,Zhang, Jianling,Liu, Lifei,Zheng, Lirong,Zhang, Fanyu,Duan, Ran,Sha, Yufei,Su, Zhuizhui,Xie, Fei. "Air atmospheric photocatalytic oxidation by ultrathin C,N-TiO2nanosheets". supporting information. p. 1165 - 1170. Retrieved 2021/02/26.