Benzyl methyl sulfone

Base Information

• Chemical Name: Benzyl methyl sulfone
• CAS No.: 3112-90-1
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 2904100000
• European Community (EC) Number: 221-478-9
• NSC Number: 409406
• UNII: HPF4E6P6FJ
• DSSTox Substance ID: DTXSID20185060
• Nikkaji Number: J43.547C
• Wikidata: Q83056008
• Mol file: 3112-90-1.mol

Synonyms:Benzyl methyl sulfone;3112-90-1;(methanesulfonylmethyl)benzene;Sulfone, benzyl methyl;methylsulfonylmethylbenzene;Benzene, [(methylsulfonyl)methyl]-;((Methylsulfonyl)methyl)benzene;Methyl benzyl sulfone;alpha-(Methylsulphonyl)toluene;[(Methylsulfonyl)methyl]benzene;benzyl methyl sulphone;Benzene, ((methylsulfonyl)methyl)-;EINECS 221-478-9;NSC-409406;AI3-07278;benzylmethylsulfone;HPF4E6P6FJ;Cambridge id 5119083;(methylsulfonylmethyl)benzene;SCHEMBL92893;BEARMXYKACECDH-UHFFFAOYSA-;DTXSID20185060;[(Methylsulfonyl)methyl]benzene #;HMS1577C18;MFCD00025074;NSC409406;AKOS000664255;.ALPHA.-(METHYLSULFONYL)TOLUENE;FS-3883;NSC 409406;SDCCGMLS-0064640.P001;CS-0207321;FT-0622775;EN300-6768770

Chemical Property of Benzyl methyl sulfone

Chemical Property:

• Vapor Pressure: 0.000102mmHg at 25°C
• Melting Point: 124 °C
• Refractive Index: 1.538
• Boiling Point: 348.4 °C at 760 mmHg
• Flash Point: 212.2 °C
• PSA: 42.52000
• Density: 1.188 g/cm³
• LogP: 2.31200
• XLogP3: 0.8
• 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:

97% ^*data from raw suppliers

Benzyl methyl sulfone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)CC1=CC=CC=C1

Technology Process of Benzyl methyl sulfone

There total 60 articles about Benzyl methyl 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: 99.0%

sodium α-toluenesulfinate (51793-64-7) + methyl iodide (74-88-4) → benzyl-methyl sulfone (3112-90-1)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; ethanol; at 80 ℃;

DOI:10.1021/acs.orglett.7b01693

Reference yield: 96.0%

N,N,N--trimethyl--1--phenylmethanaminium trifluoromethanesulfonate (260783-80-0) + sodium methansulfinate (20277-69-4) → benzyl-methyl sulfone (3112-90-1)

Guidance literature:

With copper(I) oxide; potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tetlet.2020.152320

Reference yield: 96.0%

benzylmethylsulfoxide (824-86-2) → benzyl-methyl sulfone (3112-90-1)

Guidance literature:

With n-C₆F₁₃; n-C₅F₁₁; perfluoro-cis-2,3-dialkyloxaziridine; In chloroform; trichlorofluoromethane; at -20 ℃; for 0.25h;

DOI:10.1021/jo00089a020

upstream raw materials:

trichloro-methyl-λ⁴-sulfane

[(methylthio)methyl]-benzene

(benzylsulfonyl)acetic acid

1-(phenylmethanesulfonyl)propan-2-one

Downstream raw materials:

(E)-1,2-diphenyl-ethene

Methanesulfonyl-phenyl-thioacetic acid S-methyl ester

Methanesulfonyl-phenyl-dithioacetic acid methyl ester

(α-chloro-benzyl)-methyl sulfone