1-(2-Sulphonatoethyl)pyridinium

Base Information

• Chemical Name: 1-(2-Sulphonatoethyl)pyridinium
• CAS No.: 24020-66-4
• Molecular Formula: C7H9 N O3 S
• Molecular Weight: 187.219
• Hs Code.: 2933399090
• European Community (EC) Number: 245-989-1
• DSSTox Substance ID: DTXSID40178757
• Wikidata: Q83049232
• Metabolomics Workbench ID: 176526
• Mol file: 24020-66-4.mol

Synonyms:1-(2-Sulphonatoethyl)pyridinium;24020-66-4;EINECS 245-989-1;2-pyridin-1-ium-1-ylethanesulfonate;SCHEMBL2579375;DTXSID40178757

Chemical Property of 1-(2-Sulphonatoethyl)pyridinium

Chemical Property:

• Melting Point: 260 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 69.46000
• Density: g/cm³
• LogP: 0.60010
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Sulphonatoethyl)pyridinium

There total 9 articles about 1-(2-Sulphonatoethyl)pyridinium 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: 88.0%

N-(2-chlorosulfonylethyl)pyridinium chloride (94129-23-4) → pyridinebetaine B (24020-66-4) + vinylsulfonic acid pyridinium salt (58928-00-0)

Guidance literature:

With sodium hydroxide; potassium chloride; In water; at 25 ℃; for 1h; Mechanism; Product distribution; pH=4.0, other pH, also D₂O with or without pyridine, also 4-picoline, other products;

DOI:10.1139/v84-339

Reference yield: 87.0%

pyridine (110-86-1) + sodium 2-bromethanesulfonate (4263-52-9) → pyridinebetaine B (24020-66-4)

Guidance literature:

for 24h; Reflux;

DOI:10.1080/14786410802573800

Reference yield: 10.0%

pyridine (110-86-1) + 2-hydroxyethane-1-sulfonyl chloride (78303-70-5) → pyridinebetaine B (24020-66-4) + butyl 2-hydroxyethanesulfonate (78303-74-9) + 2-Hydroxy-ethanesulfonic acid; compound with pyridine (78303-76-1) + 2-Chloro-ethanesulfonic acid; compound with pyridine (19031-02-8)

Guidance literature:

In butan-1-ol;

DOI:10.1039/c39810000295

upstream raw materials:

pyridine

vinylsulfonyl chloride

2-hydroxyethane-1-sulfonyl chloride

N-(2-chlorosulfonylethyl)pyridinium chloride

Refernces

• 1、 King,Hillhouse,Skonieczny. "Vinylogous nucleophilic catalysis. Tertiary amine promoted hydrolysis of 1-alkene-1-sulfonyl chlorides". . p. 1977 - 1995. Retrieved 2007/10/02.
• 2、 King, James F.,Hillhouse, John H.. "2-Hydroxyethanesulphonyl Chloride: a Sulphonyl Chloride with a Primary Hydroxy-group". . p. 295 - 296. Retrieved 2007/10/02.