Bromomethyl 4-methylphenyl sulfone

Base Information

• Chemical Name: Bromomethyl 4-methylphenyl sulfone
• CAS No.: 37891-95-5
• Molecular Formula: C8H9 Br O2 S
• Molecular Weight: 249.128
• Hs Code.: 2904909090
• European Community (EC) Number: 667-764-0
• NSC Number: 30371
• DSSTox Substance ID: DTXSID50283205
• Nikkaji Number: J1.729.441E
• Wikidata: Q82017692
• Mol file: 37891-95-5.mol

Synonyms:37891-95-5;bromomethyl 4-methylphenyl sulfone;1-(bromomethylsulfonyl)-4-methylbenzene;1-((bromomethyl)sulfonyl)-4-methylbenzene;1-[(bromomethyl)sulfonyl]-4-methylbenzene;1-(BROMOMETHYLSULFONYL)-4-METHYL-BENZENE;NSC30371;bromomethyl p-tolyl sulfone;SCHEMBL3630250;DTXSID50283205;KMWBOUMDQCYJHD-UHFFFAOYSA-N;NSC-30371;AKOS004912398;1-(Bromomethanesulfonyl)-4-methylbenzene;1-BROMOMETHANESULFONYL-4-METHYLBENZENE

Chemical Property of Bromomethyl 4-methylphenyl sulfone

Chemical Property:

• Vapor Pressure: 5.11E-05mmHg at 25°C
• Boiling Point: 358.9°C at 760 mmHg
• Flash Point: 170.8°C
• PSA: 42.52000
• Density: 1.55g/cm³
• LogP: 3.20190
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.95066
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

1-(BROMOMETHYLSULFONYL)-4-METHYL-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)CBr

Technology Process of Bromomethyl 4-methylphenyl sulfone

There total 20 articles about Bromomethyl 4-methylphenyl 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%

2-bromo-1-phenyl-2-(toluene-4-sulfonyl)ethanone (23128-65-6) → bromomethyl 4-tolyl sulfone (37891-95-5)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2006.11.129

Reference yield: 99.0%

1-bromo-1-(toluene-4-sulfonyl)-acetone (874009-27-5) → bromomethyl 4-tolyl sulfone (37891-95-5)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2006.11.129

Reference yield: 89.0%

sodium 4-methylbenzenesulfinate (824-79-3) + 1,1-dibromomethane (74-95-3) → bromomethyl 4-tolyl sulfone (37891-95-5)

Guidance literature:

In various solvent(s); at 80 ℃; for 4h;

DOI:10.1246/bcsj.57.613

upstream raw materials:

ethanol

bromo-(toluene-4-sulfonyl)-acetic acid amide

sodium ethanolate

tosylacetic acid

Downstream raw materials:

Methyl p-tolyl sulfone

(E)-1-cinnamylsulfonyl-4-methylbenzene

(3-([(4-methylphenyl)sulfonyl]methyl)-2-nitro-5,10,15,20-tetraphenylporphyrinato)zinc(II)

Refernces

• 1、 Kurandina, Daria,Parasram, Marvin,Gevorgyan, Vladimir. "Visible Light-Induced Room-Temperature Heck Reaction of Functionalized Alkyl Halides with Vinyl Arenes/Heteroarenes". . p. 14212 - 14216. Retrieved 2017/10/13.
• 2、 Sukata. "SIMPLE AND CONVENIENT METHOD FOR THE SYNTHESIS OF SULFONES USING POLYETHYLENE GLYCOLS OR THEIR DIALKYL ETHERS AS SOLVENTS OR CATALYSTS.". . p. 613 - 614. Retrieved 2007/10/02.