320603-05-2

Basic information

• Product Name: 5-p-tolyloxy-tetrazole-2-carboxylic acid methyl ester
• Synonyms: 5-p-tolyloxy-tetrazole-2-carboxylic acid methyl ester
• CAS NO: 320603-05-2
• Molecular Weight: 234.214
• Mol File: 320603-05-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-p-tolyloxy-tetrazole-2-carboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-p-tolyloxy-tetrazole-2-carboxylic acid methyl ester(320603-05-2)
• EPA Substance Registry System: 5-p-tolyloxy-tetrazole-2-carboxylic acid methyl ester(320603-05-2)

Safety Data

• Hazardous Substances Data: 320603-05-2(Hazardous Substances Data)

Upstream product

• 4612-90-2 5-(4-methylphenoxy)-(1H)-tetrazole 
• 79-22-1 methyl chloroformate 

Downstream Products

• 4612-90-2 5-(4-methylphenoxy)-(1H)-tetrazole 
• 320603-09-6 1-Methyl-5-p-tolyloxy-1H-tetrazole 

Relevant articles and documents

Kinetics and mechanism of izomerization of N-alkoxycarbonyl-5-aroxytetrazoles

The kinetics and mechanism of the N2-N1-isomerization of 2-methoxycarbonyl-5-(p-X-phenoxy)-tetrazoles (X = H, CH3, NHCOCH3, Cl, Br, NO2) were studied by 1H NMR spectroscopy in a DMSO-d6-CDCl3 mixture (25: 75). The rate of isomerization of the N2-isomer into N1-isomer fit the first-order equation (after three half-conversion periods). The isomerization is accompanied by hydrolysis and decarboxylation. The Hammett plot of In(kXlkH) for the isomerization showed a good correlation with σ- values (p- = 1.33, r = 0.965). A poor correlation with σ values was obtained. The kinetic data, the effect of solvent polarity, the substituent effects, and the results of AM1 quantum-chemical calculations suggest an ionic mechanism of the isomerization in polar solvents and a concerted mechanism in nonpolar solvents.