1-Bromo-4-[(phenylsulfonyl)methyl]benzene

Base Information

• Chemical Name: 1-Bromo-4-[(phenylsulfonyl)methyl]benzene
• CAS No.: 91110-68-8
• Molecular Formula: C13H11BrO2S
• Molecular Weight: 311.199
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID80459234
• Nikkaji Number: J1.845.154I
• Wikidata: Q82282948
• Mol file: 91110-68-8.mol

Synonyms:91110-68-8;1-Bromo-4-[(phenylsulfonyl)methyl]benzene;1-(benzenesulfonylmethyl)-4-bromobenzene;1-Bromo-4-((phenylsulfonyl)methyl)benzene;SBB054228;4-Bromobenzylphenyl sulfone;SCHEMBL3668383;DTXSID80459234;MFCD11840284;FS-6522;1-Bromo-4-[(phenylsulphonyl)methyl]benzene

Chemical Property of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene

Chemical Property:

• PSA: 42.52000
• LogP: 4.50380
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 309.96631
• Heavy Atom Count: 17
• Complexity: 320

Purity/Quality:

99%, ^*data from raw suppliers

1-Bromo-4-[(phenylsulfonyl)methyl]benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)Br

Technology Process of 1-Bromo-4-[(phenylsulfonyl)methyl]benzene

There total 6 articles about 1-Bromo-4-[(phenylsulfonyl)methyl]benzene 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%

phenyl p-bromobenzyl sulfide (75954-35-7) → 1-bromo-4-((phenylsulfonyl)methyl)benzene (91110-68-8)

Guidance literature:

With aluminium trichloride; 3-carboxypyridinium chlorochromate; In acetonitrile; for 0.0166667h; microwave irradiation;

DOI:10.1139/v05-008

Reference yield: 94.0%

sodium benzenesulfonate (873-55-2) + 1-bromomethyl-4-bromobenzene (589-15-1) → 1-bromo-4-((phenylsulfonyl)methyl)benzene (91110-68-8)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.1002/adsc.200404014

Reference yield: 69.0%

4-bromobenzenemethanol (873-75-6) + sodium benzenesulfonate (873-55-2) → 1-bromo-4-((phenylsulfonyl)methyl)benzene (91110-68-8)

Guidance literature:

4-bromobenzenemethanol; With N-Bromosuccinimide; triphenylphosphine; In tetrahydrofuran; at -20 - 0 ℃; for 0.75h; Inert atmosphere; Schlenk technique;

sodium benzenesulfonate; With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; at 50 ℃;

DOI:10.1002/chem.202103866

upstream raw materials:

phenyl p-bromobenzyl sulfide

sodium benzenesulfonate

1-bromomethyl-4-bromobenzene

sodium thiophenolate

Downstream raw materials:

4-[2-(4-bromophenyl)-2-(phenylsulfonyl)vinyl]benzaldehyde

1-(3-bromophenyl)-2-(4-bromophenyl)ethyne

1-(4-bromophenyl)-2-(4-chlorophenyl)ethyne

1,2-bis(4-bromophenyl)acetylene