4-Chlorobenzyl methyl sulfone

Base Information

• Chemical Name: 4-Chlorobenzyl methyl sulfone
• CAS No.: 5925-80-4
• Molecular Formula: C8H9 Cl O2 S
• Molecular Weight: 204.6739
• DSSTox Substance ID: DTXSID80974679
• Nikkaji Number: J1.493.020E
• Wikidata: Q82959112

Synonyms:5925-80-4;4-chlorobenzyl methyl sulfone;1-CHLORO-4-(METHANESULFONYLMETHYL)BENZENE;1-chloro-4-(methylsulfonylmethyl)benzene;4-Chlorobenzyl methyl sulfone 100 microg/mL in Acetonitrile;Sulfone, p-chlorobenzyl methyl;Methyl(4-chlorobenzyl) sulfone;SCHEMBL1678837;DTXSID80974679;BS-32601;1-Chloro-4-((methylsulfonyl)methyl)benzene;1-Chloro-4-[(methanesulfonyl)methyl]benzene;Benzene, 1-chloro-4-[(methylsulfonyl)methyl]-

Chemical Property of 4-Chlorobenzyl methyl sulfone

Chemical Property:

• Vapor Pressure: 1.31E-05mmHg at 25°C
• Boiling Point: 379°C at 760 mmHg
• Flash Point: 183°C
• Density: 1.318g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chlorobenzyl methyl sulfone

There total 10 articles about 4-Chlorobenzyl 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: 72.0%

methanesulfonyl chloride (124-63-0) + (4-chlorobenzyl)zinc(II) chloride (149923-10-4) → 1-chloro-4-((methylsulfonyl)methyl)benzene (5925-80-4)

Guidance literature:

With copper(l) iodide; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 0 - 20 ℃; for 6h; Inert atmosphere; Cooling with ice;

DOI:10.1039/c4ob00638k

Reference yield: 61.0%

1-Chloro-4-(chloromethyl)benzene (104-83-6) + methanesulfonyl chloride (124-63-0) → 1-chloro-4-((methylsulfonyl)methyl)benzene (5925-80-4)

Guidance literature:

methanesulfonyl chloride; With magnesium; In tetrahydrofuran; at 25 ℃; for 1h; Inert atmosphere; Schlenk technique; Sonication;

1-Chloro-4-(chloromethyl)benzene; With sodium iodide; In tetrahydrofuran; dimethyl sulfoxide; at 60 ℃; for 1h; Inert atmosphere; Schlenk technique; Sonication;

DOI:10.1039/c7ob00251c

Reference yield: 12.0%

(4-chlorobenzyl)(methyl)sulfane (5925-82-6) → 1-chloro-4-((methylsulfonyl)methyl)benzene (5925-80-4) + (S)-4-chlorobenzyl methyl sulfoxide (24176-68-9)

Guidance literature:

In ethanol; at 27 ℃; for 48h; Yields of byproduct given; Helminthosporium species NRRL 4671;

DOI:10.1016/0957-4166(95)00199-Y

upstream raw materials:

methyl bromide

sodium (4-C₆H₄ClCH₂)(thiolate)

benzyl-methyl sulfone

(4-chlorobenzyl)(methyl)sulfane

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