Benzyl phenyl sulfoxide

Base Information

• Chemical Name: Benzyl phenyl sulfoxide
• CAS No.: 833-82-9
• Molecular Formula: C13H12OS
• Molecular Weight: 216.2988
• European Community (EC) Number: 622-062-3
• NSC Number: 122659,44777
• DSSTox Substance ID: DTXSID60286328
• Nikkaji Number: J283.984I
• ChEMBL ID: CHEMBL1863954
• Mol file: 833-82-9.mol

Synonyms:Benzyl phenyl sulfoxide;(benzylsulfinyl)benzene;833-82-9;benzenesulfinylmethylbenzene;[(BENZENESULFINYL)METHYL]BENZENE;MLS002707255;NSC44777;ghl.PD_Mitscher_leg0.491;SCHEMBL779948;[(Phenylsulfinyl)methyl]benzene;CHEMBL1863954;DTXSID60286328;[(Phenylsulfinyl)methyl]benzene #;HMS1666I08;MFCD00019926;NSC-44777;NSC122659;AKOS022179238;CCG-256456;NSC-122659;SMR001574649;EN300-9544421;AE-641/05560045;Z1154814721

Chemical Property of Benzyl phenyl sulfoxide

Chemical Property:

• Vapor Pressure: 3.9E-06mmHg at 25°C
• Refractive Index: 1.653
• Boiling Point: 396.5 °C at 760 mmHg
• Flash Point: 193.6 °C
• Density: 1.21 g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.06088618
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Benzyl phenyl sulfoxide

There total 106 articles about Benzyl phenyl sulfoxide 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: 96.0%

bromomethyl phenyl sulfoxide (31268-20-9) + phenylboronic acid (98-80-6) → biphenyl (92-52-4,1594-86-1) + racemic methyl phenyl sulfoxide (1193-82-4) + benzyl phenyl sulfoxide (7417-81-4,20246-02-0,73610-10-3,210539-77-8,833-82-9)

Guidance literature:

With cesium fluoride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; Heating;

DOI:10.1021/jo0487552

Reference yield: 91.0%

Benzyl phenyl sulfide (831-91-4) → benzyl phenyl sulfoxide (7417-81-4,20246-02-0,73610-10-3,210539-77-8,833-82-9) + benzaldehyde (100-52-7) + diphenyldisulfane (882-33-7)

Guidance literature:

With triethylamine tris(hydrogen fluoride); In acetonitrile; at 20 ℃; electrolysis at 1.6 V anodic potential (platinum anode and cathode);

DOI:10.1021/jo00312a006

Reference yield: 74.0%

1,1'-sulfinylbisbenzene (945-51-7) + C14H14O2Zn*2MgBr2*LiBr + benzyl bromide (100-39-0) → benzyl phenyl sulfoxide (7417-81-4,20246-02-0,73610-10-3,210539-77-8,833-82-9) + 4-methoxylbiphenyl (613-37-6) + 4,4'-Dimethoxybiphenyl (2132-80-1)

Guidance literature:

1,1'-sulfinylbisbenzene; C₁₄H₁₄O₂Zn*2MgBr₂*LiBr; With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In tetrahydrofuran; at 80 ℃; for 0.0833333h;

benzyl bromide; at 20 ℃; for 1h;

DOI:10.1021/acscatal.7b02347

upstream raw materials:

1,1'-sulfinylbisbenzene

benzyl sodium

Benzyl phenyl sulfide

benzenesulfonyl chloride

Downstream raw materials:

benzenesulfinyl-phenyl-acetic acid

thiophenol

Benzyl phenyl sulfide

α-Chlorobenzyl phenyl sulfoxide

Refernces

• 1、 Karimian, Davud,Zangi, Fatemeh. "Aerobic photoxidation of sulfides using unique hybrid polyoxometalate under visible light". . . Retrieved 2021/01/26.
• 2、 Taghavi, Shaghayegh,Amoozadeh, Ali,Nemati, Firouzeh. "Deep eutectic solvent-assisted synthesis of highly efficient nanocatalyst (n-TiO2@TDI@DES (ZnCl2:urea)) for chemoselective oxidation of sulfides to sulfoxides". . . Retrieved 2020/12/21.