3-Carboxylato-1-(2-hydroxyethyl)pyridinium

Base Information

• Chemical Name: 3-Carboxylato-1-(2-hydroxyethyl)pyridinium
• CAS No.: 52578-48-0
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.164
• European Community (EC) Number: 258-016-0
• DSSTox Substance ID: DTXSID40200547
• Wikidata: Q83073693
• Metabolomics Workbench ID: 134464
• ChEMBL ID: CHEMBL447147
• Mol file: 52578-48-0.mol

Synonyms:3-Carboxylato-1-(2-hydroxyethyl)pyridinium;52578-48-0;1-(2-hydroxyethyl)pyridin-1-ium-3-carboxylate;EINECS 258-016-0;pyridinebetaine A;CHEMBL447147;DTXSID40200547

Chemical Property of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 155

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[N+](=C1)CCO)C(=O)[O-]
• Use Description: I couldn't find specific information regarding a compound named "3-Carboxylato-1-(2-hydroxyethyl)pyridinium" in my knowledge base, which is current up to September 2021. It's possible that this compound is relatively specialized, proprietary, or emerged after my last update. To provide accurate information about its uses and roles in different fields, I would need more context or updated information. I recommend consulting scientific literature, databases, or industry sources for the most recent and detailed information regarding "3-Carboxylato-1-(2-hydroxyethyl)pyridinium" and its potential applications in various fields.

Technology Process of 3-Carboxylato-1-(2-hydroxyethyl)pyridinium

There total 2 articles about 3-Carboxylato-1-(2-hydroxyethyl)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:

1-(2-hydroxyethyl)-3-methoxycarbonylpyridinium bromide → pyridinebetaine A (52578-48-0)

Guidance literature:

With pyridine; lithium iodide; at 100 ℃; for 4h;

DOI:10.1080/14786410802573800

Reference yield:

oxirane (75-21-8,99932-75-9) → pyridinebetaine A (52578-48-0)

Guidance literature:

With water; pH 7-11;

upstream raw materials:

oxirane

Refernces