4-(Trimethylazaniumyl)benzenesulfonate

Base Information

• Chemical Name: 4-(Trimethylazaniumyl)benzenesulfonate
• CAS No.: 19329-61-4
• Molecular Formula: C9H13 N O3 S
• Molecular Weight: 215.273
• DSSTox Substance ID: DTXSID80404481
• NSC Number: 245489
• Wikidata: Q82208706
• Mol file: 19329-61-4.mol

Synonyms:19329-61-4;4-(trimethylazaniumyl)benzenesulfonate;TrimethylsulfanilsA currencyure;DTXSID80404481;NSC245489;p-(trimethylammonio)benzene sulfonate;NSC-245489

Chemical Property of 4-(Trimethylazaniumyl)benzenesulfonate

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.06161445
• Heavy Atom Count: 14
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-]

Technology Process of 4-(Trimethylazaniumyl)benzenesulfonate

There total 5 articles about 4-(Trimethylazaniumyl)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-dimethylaminobenzenesulfonic acid methyl ester (57270-54-9) → p-Trimethylammoniumbenzenesulfonate zwitterion (19329-61-4)

Guidance literature:

beim Aufbewahren;

DOI:10.1021/ja00445a030

Reference yield:

4-aminobenzene sulfonic acid (121-57-3,856062-06-1) + methyl iodide (74-88-4) → p-Trimethylammoniumbenzenesulfonate zwitterion (19329-61-4)

Guidance literature:

With sodium carbonate;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) → sulfanilic acid methyl ester (55034-26-9) + p-Trimethylammoniumbenzenesulfonate zwitterion (19329-61-4)

Guidance literature:

With diethyl ether;

upstream raw materials:

4-dimethylaminobenzenesulfonic acid methyl ester

4-aminobenzene sulfonic acid

methyl iodide

diazomethane