138572-28-8

Basic information

• Product Name: Toluene-4-sulfonate1-amino-2-(2-methoxycarbonyl-phenyl)-pyridinium;
• CAS NO: 138572-28-8
• Molecular Weight: 400.455
• Mol File: 138572-28-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Toluene-4-sulfonate1-amino-2-(2-methoxycarbonyl-phenyl)-pyridinium;(CAS DataBase Reference)
• NIST Chemistry Reference: Toluene-4-sulfonate1-amino-2-(2-methoxycarbonyl-phenyl)-pyridinium;(138572-28-8)
• EPA Substance Registry System: Toluene-4-sulfonate1-amino-2-(2-methoxycarbonyl-phenyl)-pyridinium;(138572-28-8)

Safety Data

• Hazardous Substances Data: 138572-28-8(Hazardous Substances Data)

Upstream product

• 13764-20-0 2-(2-Pyridinyl)benzoic Acid 
• 16419-60-6 2-Methylphenylboronic acid 
• 10273-89-9 2-(2-methylphenyl)pyridine 
• 932-31-0 ortho-tolylmagnesium bromide 
• 109-04-6 2-bromo-pyridine 
• 52913-14-1 O-tosylhydroxylamine 
• 98061-19-9 methyl 2-(2-pyridinyl)benzoate 

Relevant articles and documents

Synthesis and Methylation of Two Differently Fused Benzologs of Pyridopyridazinium-4-olate

The alkylation of the two differently fused tricyclic zwitterions 3 and 5 was compared.The linear system 3 was converted into the N-methyl salt 4 on treatment with dimethyl sulfate and into the O-methyl product 12 on treatment with Meerwein's reagent.The angular system 5, in turn, was predominantly transformed into the O-methyl product 14.Theoretical considerations on modified FMO treatment taking into account the lone-pair densities (cn-HOMO) suggested that linear 3 was methylated only at the oxygen position (affording 12) and 4 is a thermodynamically controlled remethylation product.A critical interpretation of cn-HOMO vs. cHOMO is discussed. Key Words: Zwitterions, heteroaromatic / Lone electron pair density, role in alkylations / Calculations, AM 1