1,1'-[(Bromomethanediyl)disulfonyl]dibenzene

Base Information

• Chemical Name: 1,1'-[(Bromomethanediyl)disulfonyl]dibenzene
• CAS No.: 18087-04-2
• Molecular Formula: C13H11 Br O4 S2
• Molecular Weight: 375.264
• NSC Number: 131068
• DSSTox Substance ID: DTXSID40299496
• Wikidata: Q82041940
• ChEMBL ID: CHEMBL2135103
• Mol file: 18087-04-2.mol

Synonyms:MLS002920082;18087-04-2;1,1'-[(bromomethanediyl)disulfonyl]dibenzene;NSC131068;CHEMBL2135103;DTXSID40299496;NSC-131068;SMR001797679

Chemical Property of 1,1'-[(Bromomethanediyl)disulfonyl]dibenzene

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 373.92821
• Heavy Atom Count: 20
• Complexity: 456

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1'-[(Bromomethanediyl)disulfonyl]dibenzene

There total 4 articles about 1,1'-[(Bromomethanediyl)disulfonyl]dibenzene 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: 40.0%

bis(phenylsulfonyl)methane (3406-02-8) → 1-bromobis(phenylsulfonyl)methane (18087-04-2)

Guidance literature:

bis(phenylsulfonyl)methane; With sodium methylate; In methanol; dichloromethane; at 20 ℃; for 1h;

With bromine; In methanol; dichloromethane; at 20 ℃; for 2h;

Reference yield:

bis(phenylthio)methane (3561-67-9) → 1-bromobis(phenylsulfonyl)methane (18087-04-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous H₂O₂; glacial acetic acid; acetic acid anhydride

2: aqueous NaOBr

3: methanol

With methanol; sodium hypobromide; dihydrogen peroxide; acetic anhydride; acetic acid;

DOI:10.1021/ja01304a062

Reference yield:

bis(phenylsulfonyl)methane (3406-02-8) + bis(phenylsulfonyl)dibromomethane (18086-96-9) → 1-bromobis(phenylsulfonyl)methane (18087-04-2)

Guidance literature:

With methanol;

DOI:10.1021/ja01304a062

upstream raw materials:

methanol

bis(phenylsulfonyl)methane

bis(phenylsulfonyl)dibromomethane

bis(phenylthio)methane

Downstream raw materials:

C₂₅H₂₀O₅PS₂^(1-)*Na⁽¹⁺⁾

Bis-(phenylsulfonyl)-methyldiphenylphosphinoxid

C₂₆H₂₃O₅PS₂

C₂₅H₂₂NO₄PS₂

Refernces