Pyridinium, 1-acetyl-

Base Information

• Chemical Name: Pyridinium, 1-acetyl-
• CAS No.: 29788-34-9
• Molecular Formula: C7H8 N O
• Molecular Weight: 122.147
• DSSTox Substance ID: DTXSID00433091
• Nikkaji Number: J1.173.864H
• Wikidata: Q82247215
• ChEMBL ID: CHEMBL1182268
• Mol file: 29788-34-9.mol

Synonyms:Pyridinium, 1-acetyl-;29788-34-9;1-ACETYLPYRIDINIUM;SCHEMBL146863;CHEMBL1182268;DTXSID00433091

Chemical Property of Pyridinium, 1-acetyl-

Chemical Property:

• PSA: 20.95000
• LogP: 0.63420
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.060588879
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)[N+]1=CC=CC=C1

Technology Process of Pyridinium, 1-acetyl-

There total 2 articles about Pyridinium, 1-acetyl- 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:

pyridine (110-86-1) + C7H3(2)H5NO(1+) → perdeuteriopyridine (7291-22-7) + 1-acetylpyridinium cation (29788-34-9)

Guidance literature:

Kinetics;

DOI:10.1021/ol006060r

Reference yield:

pyridine (110-86-1) + 2,4-dinitrophenyl acetate (4232-27-3) → 1-acetylpyridinium cation (29788-34-9) + 2,4-dinitrophenolate (20350-26-9)

Guidance literature:

In ethanol; water; at 25 ℃; Rate constant;

DOI:10.1021/jo00376a005

upstream raw materials:

pyridine

2,4-dinitrophenyl acetate