54893-29-7

Basic information

• Product Name: 1-(1,2,4-triazol-4-yl)-2,4,6-trimethylbenzene
• Synonyms: 1-(1,2,4-triazol-4-yl)-2,4,6-trimethylbenzene
• CAS NO: 54893-29-7
• Molecular Weight: 187.244
• Mol File: 54893-29-7.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 1-(1,2,4-triazol-4-yl)-2,4,6-trimethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1,2,4-triazol-4-yl)-2,4,6-trimethylbenzene(54893-29-7)
• EPA Substance Registry System: 1-(1,2,4-triazol-4-yl)-2,4,6-trimethylbenzene(54893-29-7)

Safety Data

• Hazardous Substances Data: 54893-29-7(Hazardous Substances Data)

Upstream product

• 584-13-4 4-amino-1,2,4-triazole 
• 108-67-8 1,3,5-trimethyl-benzene 
• 24994-60-3 1-amino-1,2,4-triazole 
• 88-05-1 2,4,6-trimethylaniline 
• 16227-06-8 {N'-[(dimethylamino)methylene]-N,N-dimethylhydrazonoformamide dihydrochloride} 

Relevant articles and documents

Synthesis of xylylene-bridged dipalladium complexes with imidazole and triazole-based di-N-heterocyclic carbene (NHC) ligands

The di-N-heterocyclic carbene (NHC) dipalladium complexes, [(PdPyBr2)2(di-NHCimi)] and [(PdPyBr2)2(di-NHCtri)], di-NHCimi and di-NHCtri represent an imidazolylidene and a triazolylidene, respectively, featuring a 1,4-xylylene spacer between the carbene units, have been prepared. The influences of the imidazolylidene and triazolidene backbone and different substituents on the catalytic activity have been investigated in the Mizoroki-Heck reaction of styrene with bromobenzene.

Preparation and N-alkylation of 4-Aryl-1,2,4-triazoles

Heating of N,N-dimethylformamide azine dihydrochloride {N-[(dimethylamino) methylene]-N,N-dimethylhydrazonoformamide dihydrochloride} with anilines in the absence of a solvent gave a range of 4-aryl-1,2,4-triazoles by direct transamination. Ortho-substituents were tolerated. Some triazoles were converted into symmetrically and nonsymmetrically substituted bistriazolium salts, one of which was converted into a dicopper complex. Georg Thieme Verlag Stuttgart - New York.

ATTEMPTED GENERATION AND STRUCTURE OF THE 4-(1,2,4-TRIAZOYL) CATION

4-(and 1-) Amino-1,2,4-triazoles have been treated with nitrosonium tetrafluoroborate or with isoamyl nitrile and acetic acid in the presence of mesitylene.The main product is 1,2,4-triazole, together with a small amount of the 1- and trace amounts of the 4-mesityl derivatives.Ab initio calculations of the putative 4-(1,2,4-triazoyl) cation show the electronic ground state to be a closed shell singlet 1A1 (4? e) (3), with a low-lying 3B1 triplet (4) only 1 kcal/mol above it; the ?-cation (1) is not a local minimum on the potential energy surface.Possible explanations of the results are proposed.