Benzenesulfonic acid, 4-ethenyl-, ethyl ester

Base Information

• Chemical Name: Benzenesulfonic acid, 4-ethenyl-, ethyl ester
• CAS No.: 16736-98-4
• Molecular Formula: C10H12O3S
• Molecular Weight: 212.269
• European Community (EC) Number: 605-475-3
• DSSTox Substance ID: DTXSID90451729
• Nikkaji Number: J798.853B
• Wikidata: Q82271910
• Mol file: 16736-98-4.mol

Synonyms:Benzenesulfonic acid, 4-ethenyl-, ethyl ester;16736-98-4;ethyl 4-ethenylbenzenesulfonate;SCHEMBL313392;DTXSID90451729;4-Vinylbenzenesulfonic acid ethyl ester

Chemical Property of Benzenesulfonic acid, 4-ethenyl-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.000439mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.05071541
• Heavy Atom Count: 14
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOS(=O)(=O)C1=CC=C(C=C1)C=C

Technology Process of Benzenesulfonic acid, 4-ethenyl-, ethyl ester

There total 4 articles about Benzenesulfonic acid, 4-ethenyl-, ethyl ester 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: 97.0%

ethyl p-(2-bromoethyl)benzenesulfonate → p-styrenesulfonate ethyl ester (16736-98-4)

Guidance literature:

With 4-tert-Butylcatechol; potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 4h; Solvent;

Reference yield: 70.0%

ethyl bromide (74-96-4) + sodium 4-styrenesulfonate (2695-37-6) → p-styrenesulfonate ethyl ester (16736-98-4)

Guidance literature:

sodium 4-styrenesulfonate; With silver nitrate; In water; at 0 ℃; for 2h;

ethyl bromide; In acetonitrile; at 70 ℃; for 15h;

DOI:10.1002/pola.24836

Reference yield:

ethyl bromide (74-96-4) + silver 4-vinylbenzenesulfonate → p-styrenesulfonate ethyl ester (16736-98-4)

Guidance literature:

DOI:10.1021/ma020301o

upstream raw materials:

ethyl bromide

sodium 4-styrenesulfonate