Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]-

Base Information

• Chemical Name: Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]-
• CAS No.: 167708-86-3
• Molecular Formula: C13H11IO2S
• Molecular Weight: 358.2
• DSSTox Substance ID: DTXSID80461074
• Nikkaji Number: J2.696.340K
• Wikidata: Q82285318
• Mol file: 167708-86-3.mol

Synonyms:Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]-;167708-86-3;DTXSID80461074

Chemical Property of Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 357.95245
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

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=CC=C2I

Technology Process of Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]-

There total 3 articles about Benzene, 1-iodo-2-[(phenylsulfonyl)methyl]- 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: 95.0%

sodium benzenesulfonate (873-55-2) → 1-iodo-2-(phenylsulfonylmethyl)benzene (167708-86-3)

Guidance literature:

With tetra-n-propylammonium bromide; In acetonitrile; at 80 ℃; for 24h;

DOI:10.1055/s-2004-822311

Reference yield: 86.0%

2-Iodobenzyl bromide (40400-13-3) + sodium benzenesulfonate (873-55-2) → 1-iodo-2-(phenylsulfonylmethyl)benzene (167708-86-3)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 0.166667h;

DOI:10.1002/hlca.19950780321

Reference yield:

ortho-methylphenyl iodide (615-37-2) → 1-iodo-2-(phenylsulfonylmethyl)benzene (167708-86-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NBS; benzoyl peroxide / CCl₄ / 12 h / Heating

2: dimethylformamide / 12 h / 80 °C

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; N,N-dimethyl-formamide;

DOI:10.1002/adsc.200404014

upstream raw materials:

2-Iodobenzyl bromide

sodium benzenesulfonate

ortho-methylphenyl iodide

Downstream raw materials:

2-(2-benzenesulfonylmethyl-phenylethynyl)-naphthalene

o,o’-diiodo-diphenylacetylene

ethyl 2-(2-iodophenyl)-2-phenylsulfonylacetate

1-phenylethynyl-2-(phenylsulfonylmethyl)benzene