Benzyl phenyl sulfone

Base Information

• Chemical Name: Benzyl phenyl sulfone
• CAS No.: 3112-88-7
• Molecular Formula: C13H12 O2 S
• Molecular Weight: 232.303
• Hs Code.: 29041000
• European Community (EC) Number: 221-477-3
• NSC Number: 15407
• UNII: 33EH6K4PRB
• DSSTox Substance ID: DTXSID10185059
• Nikkaji Number: J49.542E
• Wikidata: Q72442700
• ChEMBL ID: CHEMBL189988
• Mol file: 3112-88-7.mol

Synonyms:Benzyl phenyl sulfone;3112-88-7;(benzylsulfonyl)benzene;Sulfone, benzyl phenyl;benzenesulfonylmethylbenzene;Phenyl benzyl sulfone;Benzene, [(phenylmethyl)sulfonyl]-;((Phenylmethyl)sulfonyl)benzene;Benzylphenylsulphone;((Phenylmethyl)sulphonyl)benzene;Benzyl phenyl sulphone;AI3-08944;EINECS 221-477-3;Benzene, ((phenylmethyl)sulfonyl)-,;NSC 15407;BENZYLSULFONYLBENZENE;BRN 2049938;[(benzenesulfonyl)methyl]benzene;NSC-15407;Benzene, ((phenylmethyl)sulfonyl)-, (9CI);4-06-00-02647 (Beilstein Handbook Reference);[(Phenylmethyl)sulfonyl]benzene;[(phenylmethyl)sulphonyl]benzene;Benzene, ((phenylmethyl)sulfonyl)-;Phenylbenzylsulfon;Phenylbenzylsulfone;benzylsulfonyl-benzene;benzylphenyl SULFONE;Maybridge4_001972;phenylmethanesulfonylbenzene;WLN: WSR&1R;33EH6K4PRB;SCHEMBL780337;CHEMBL189988;BDBM22780;DTXSID10185059;HMS1526J14;NSC15407;MFCD00025040;AKOS015898751;FS-1058;NCGC00177060-01;LS-147959;B3080;CS-0143425;FT-0622779;D88979;EN300-299418;A820734;BRD-K17304618-001-01-4;Z291973110

Chemical Property of Benzyl phenyl sulfone

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 6.39E-07mmHg at 25°C
• Melting Point: 146-150 °C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 421.4°Cat760mmHg
• Flash Point: 263.1°C
• PSA: 42.52000
• Density: 1.21g/cm³
• LogP: 3.74130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.05580079
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

99.5% ^*data from raw suppliers

Benzyl Phenyl Sulfone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzyl phenyl sulfone

There total 113 articles about Benzyl 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%

Benzyl phenyl sulfide (831-91-4) → Benzyl phenyl sulfone (3112-88-7)

Guidance literature:

With potassium permanganate; iron(III) chloride; In acetonitrile; at 23 ℃; for 1.25h;

DOI:10.1016/S0040-4020(02)01227-9

Reference yield: 99.0%

benzyl phenyl sulfoxide (7417-81-4,20246-02-0,73610-10-3,210539-77-8,833-82-9) → Benzyl phenyl sulfone (3112-88-7)

Guidance literature:

With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; dihydrogen peroxide; at 25 ℃; for 0.166667h; chemoselective reaction; Neat (no solvent);

DOI:10.1021/jo1011784

Reference yield: 99.0%

S-Phenyl benzenethiosulfonate (1212-08-4) + benzyl bromide (100-39-0) → Benzyl phenyl sulfone (3112-88-7)

Guidance literature:

With caesium carbonate; In ethanol; at 90 ℃; for 16h; Reagent/catalyst; Temperature; Solvent; Sealed tube;

upstream raw materials:

Benzyl phenyl sulfide

ethanol

sodium benzenesulfonate

benzyl chloride

Downstream raw materials:

4-benzenesulfonyl-4-phenyl-heptanedinitrile

2-Benzolsulfonyl-1,1,2-triphenyl-ethanol

Phenyl-<2.2-bis-(ethylthio)-1-phenyl-vinyl>-sulfon

2-(3-Benzenesulfonyl-3-phenyl-propyl)-oxirane

Refernces

• 1、 Afzali, Niloufar,Kardanpour, Reihaneh,Zadehahmadi, Farnaz,Tangestaninejad, Shahram,Moghadam, Majid,Mirkhani, Valiollah,Mechler, Adam,Mohammadpoor-Baltork, Iraj,Bahadori, Mehrnaz. "Molybdenum (VI)-functionalized UiO-66 provides an efficient heterogeneous nanocatalyst in oxidation reactions". . . Retrieved 2019.
• 2、 Russell,Pecoraro. "". . p. 3990. Retrieved 1979.
• 3、 Cao, Zhong-Yan,Li, Xiaolong,Lu, Hao,Wang, Panpan,Wang, Shengqiang,Xu, Xiaobo,Yan, Leyu,Yang, A-Xiu. "Selective synthesis of sulfoxides and sulfonesviacontrollable oxidation of sulfides withN-fluorobenzenesulfonimide". supporting information. p. 8691 - 8695. Retrieved 2021/10/22.
• 4、 Luque, Rafael,Rajabi, Fatemeh,Vessally, Esmail,Voskressensky, Leonid. "Highly efficient and selective aqueous aerobic oxidation of sulfides to sulfoxides or sulfones catalyzed by tungstate-functionalized nanomaterial". . . Retrieved 2021/10/08.