Benzyl 4-chlorobenzene-1-sulfonate

Base Information

• Chemical Name: Benzyl 4-chlorobenzene-1-sulfonate
• CAS No.: 13086-79-8
• Molecular Formula: C₁₃H₁₁ClO₃S
• Molecular Weight: 282.748
• DSSTox Substance ID: DTXSID70546829
• Wikidata: Q82424748

Synonyms:13086-79-8;Benzyl 4-chlorobenzene-1-sulfonate;DTXSID70546829

Chemical Property of Benzyl 4-chlorobenzene-1-sulfonate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282.0117431
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of Benzyl 4-chlorobenzene-1-sulfonate

There total 1 articles about Benzyl 4-chlorobenzene-1-sulfonate 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-chloro-benzenesulfonic acid (98-66-8) + benzyl bromide (100-39-0) → Phenylmethan-sulfonsaeure-p-chlorphenylester (13086-79-8)

Guidance literature:

Multistep reaction; 1.) Emmons procedure, 2.) acetonitrile, 50 deg C, 5 h;

Reference yield:

Phenylmethan-sulfonsaeure-p-chlorphenylester (13086-79-8) + Dimethyl-p-toluidine (99-97-8) → 4-Chloro-benzenesulfonatebenzyl-dimethyl-p-tolyl-ammonium; (88801-99-4)

Guidance literature:

Rate constant; secondary α-tritium isotope effect;

DOI:10.1016/S0040-4039(00)85718-4

Reference yield:

4-methoxy-N,N-dimethylanilne (701-56-4) + Phenylmethan-sulfonsaeure-p-chlorphenylester (13086-79-8) → 4-Chloro-benzenesulfonatebenzyl-(4-methoxy-phenyl)-dimethyl-ammonium; (88801-97-2)

Guidance literature:

In acetone; at 35 ℃; Rate constant; kinetic isotope effect;

DOI:10.1021/ja00319a030

upstream raw materials:

4-chloro-benzenesulfonic acid

benzyl bromide

Downstream raw materials:

4-Chloro-benzenesulfonatebenzyl-(4-methoxy-phenyl)-dimethyl-ammonium;

4-Chloro-benzenesulfonatebenzyl-(4-bromo-phenyl)-dimethyl-ammonium;

4-Chloro-benzenesulfonatebenzyl-dimethyl-phenyl-ammonium;

4-Chloro-benzenesulfonatebenzyl-dimethyl-p-tolyl-ammonium;

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