[4-(4-Bromophenyl)phenyl] benzenesulfonate

Base Information

• Chemical Name: [4-(4-Bromophenyl)phenyl] benzenesulfonate
• CAS No.: 58743-85-4
• Molecular Formula: C18H13 Br O3 S
• Molecular Weight: 389.269
• NSC Number: 95759
• DSSTox Substance ID: DTXSID60294302
• Wikidata: Q82033532
• Mol file: 58743-85-4.mol

Synonyms:[4-(4-bromophenyl)phenyl] benzenesulfonate;58743-85-4;4'-bromobiphenyl-4-yl benzenesulfonate;NSC95759;SCHEMBL11313379;DTXSID60294302;WCZHJYJCMMUNDM-UHFFFAOYSA-N;NSC-95759;4'-bromo-4-benzene-sulphonyloxybiphenyl;4'-bromo[1,1'-biphenyl]-4-yl benzenesulfonate;AE-534/30057053

Chemical Property of [4-(4-Bromophenyl)phenyl] benzenesulfonate

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 387.97688
• Heavy Atom Count: 23
• Complexity: 451

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)OC2=CC=C(C=C2)C3=CC=C(C=C3)Br

Technology Process of [4-(4-Bromophenyl)phenyl] benzenesulfonate

There total 4 articles about [4-(4-Bromophenyl)phenyl] benzenesulfonate 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:

4-bromo-4'-hydroxybiphenyl (29558-77-8) + benzenesulfonyl chloride (98-09-9) → benzenesulfonic acid-(4'-bromo-biphenyl-4-yl ester) (58743-85-4)

Guidance literature:

With pyridine;

DOI:10.1021/ja01285a036

Reference yield:

→ benzenesulfonic acid-(4'-bromo-biphenyl-4-yl ester) (58743-85-4)

Guidance literature:

With bromine; acetic acid; in Gegenwart von Eisen;

DOI:10.1021/ja01285a036

Reference yield:

benzenesulfonic acid biphenyl-4-yl ester (32337-48-7) → benzenesulfonic acid-(4'-bromo-biphenyl-4-yl ester) (58743-85-4)

Guidance literature:

With tetrachloromethane; bromine; iodine; iron;

DOI:10.1021/ja01601a063

upstream raw materials:

benzenesulfonic acid biphenyl-4-yl ester

4-bromo-4'-hydroxybiphenyl

benzenesulfonyl chloride

bromine

Downstream raw materials:

4-[trans-4-n-propylcyclohexylmethoxy]-4'-bromobiphenyl