Bromomethyl phenyl sulfone

Base Information

• Chemical Name: Bromomethyl phenyl sulfone
• CAS No.: 19169-90-5
• Molecular Formula: C7H7BrO2S
• Molecular Weight: 235.101
• Hs Code.: 2904909090
• European Community (EC) Number: 627-855-8
• NSC Number: 122669
• DSSTox Substance ID: DTXSID60298360
• Nikkaji Number: J887.326G
• Wikidata: Q82040128
• Mol file: 19169-90-5.mol

Synonyms:Bromomethyl phenyl sulfone;19169-90-5;bromomethylphenylsulfone;((bromomethyl)sulfonyl)benzene;bromomethylsulfonylbenzene;bromomethanesulfonylbenzene;Benzene,[(bromomethyl)sulfonyl]-;NSC122669;(bromomethylsulfonyl)benzene;SCHEMBL1022429;Bromomethyl phenyl sulfone, 98%;DTXSID60298360;MFCD00034033;AKOS015889545;CS-W018369;NSC-122669;AS-61608;FT-0716528;D77836;EN300-6776509;J-012391

Chemical Property of Bromomethyl phenyl sulfone

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 8.38E-05mmHg at 25°C
• Melting Point: 51-53 °C(lit.)
• Refractive Index: 1.578
• Boiling Point: 351.3 °C at 760 mmHg
• Flash Point: 166.3 °C
• PSA: 42.52000
• Density: 1.628 g/cm³
• LogP: 2.89350
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.93501
• Heavy Atom Count: 11
• Complexity: 199

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bromomethyl phenyl sulfone 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bromomethyl phenyl sulfone

There total 16 articles about Bromomethyl 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: 98.0%

ω-bromo-ω-phenylsulfonylacetophenone (23128-59-8) → bromomethylphenylsulfone (19169-90-5)

Guidance literature:

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

DOI:10.1016/j.tetlet.2006.11.129

Reference yield: 91.0%

2-bromo-1-methyl-2-phenylsulfonylethanone (90476-25-8) → bromomethylphenylsulfone (19169-90-5)

Guidance literature:

With alkali; In water;

Reference yield: 67.0%

methylphenylsulfonate (3112-85-4) → bromomethylphenylsulfone (19169-90-5) + ((dibromomethyl)sulfonyl)benzene (16003-66-0)

Guidance literature:

methylphenylsulfonate; With n-butyllithium; In 1,4-dioxane; at 20 ℃; for 1.5h; Inert atmosphere;

With bromine; In 1,4-dioxane; at 20 ℃; for 2h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1039/c9cc00550a

upstream raw materials:

ethanol

((dibromomethyl)sulfonyl)benzene

sodium ethanolate

benzenesulfonylacetic acid

Downstream raw materials:

1-phenylsulphonyl-3-methyl butane

phenyl pentyl sulfone

methylphenylsulfonate

(E)-1-propenyl phenyl sulfone

Refernces

• 1、 Suryakiran,Prabhakar,Srikanth Reddy,Chinni Mahesh,Rajesh,Venkateswarlu. "Chemoselective mono halogenation of β-keto-sulfones using potassium halide and hydrogen peroxide; synthesis of halomethyl sulfones and dihalomethyl sulfones". . p. 877 - 881. Retrieved 2007/10/03.
• 2、 Grosset, Stuart J.,Dubey, Pramod K.,Gill, Glen H.,Cameron, Stanley T.,Gardner, Patrick A.. "THE PREPARATION, SPECTRAL PROPERTIES, STRUCTURES, AND BASE-INDUCED CLEAVAGE REACTIONS OF SOME α-HALO-β-KETOSULFONES". . p. 798 - 807. Retrieved 2007/10/02.