110822-97-4

Basic information

• Product Name: 4H-1,2,4-triazol-4-ylacetic acid(SALTDATA: FREE)
• Synonyms: 4H-1,2,4-triazol-4-ylacetic acid(SALTDATA: FREE);4H-1,2,4-triazol-4-ylacetic acid;4H-1,2,4-triazol-4-ylacetic acid(SALTDATA
• CAS NO: 110822-97-4
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.1014
• Mol File: 110822-97-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 161 °C
• Boiling Point: 376.9±44.0 °C(Predicted)
• Appearance: /
• Density: 1.53±0.1 g/cm3(Predicted)
• PKA: 3.02±0.10(Predicted)
• CAS DataBase Reference: 4H-1,2,4-triazol-4-ylacetic acid(SALTDATA: FREE)(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-1,2,4-triazol-4-ylacetic acid(SALTDATA: FREE)(110822-97-4)
• EPA Substance Registry System: 4H-1,2,4-triazol-4-ylacetic acid(SALTDATA: FREE)(110822-97-4)

Safety Data

• Hazardous Substances Data: 110822-97-4(Hazardous Substances Data)

Upstream product

• 16227-06-8 N,N-dimethylformamide azine dihydrochloride 
• 56-40-6 glycine 
• 16114-05-9 N,N'-bis(dimethylaminomethylene)hydrazine 
• 1279637-91-0 diethyl 2-4H-1,2,4-triazol-4-ylmalonate 

Relevant articles and documents

Zinc complexes with 1,2,4-triazole functionalized amino acid derivatives: Synthesis, structure and β-lactamase assay

Coordinating abilities of 4R-1,2,4-triazole derivatives (R = glycine ethyl ester (L1), glycine (L2), diethylamino malonate (L3), methionine (L4) and diethyl aminomethylphosphonate (L5)) towards ZnII ions have been studied in solution, in solid state and versus three zinc-β-lactamases. The crystal structure of [Zn3(L4)6(H2O) 6] (6) is described; it is the first crystal structure involving a 1,2,4-triazole functionalized methionine. It forms a trinuclear complex with central zinc octahedrally coordinated by only L4, whereas terminal zinc ions coordination sphere is completed by three water molecules. L4 exhibits a dual functionality of a bridging bidentate ligand as well as an anion. A dense hydrogen bonding network connects these trinuclear entity into a 3D supramolecular network. The ZnII ions in 6 are held at equidistance (3.848 A?) which coincidently matches with the corresponding Zn?Zn distance in the binuclear zinc enzyme from Bacillus cereus (3.848 and 4.365 A?). Among L1-L5 screened for β-lactamase assay, L4 shows modest inhibition for BcII enzyme.

A simplified approach to N- and N,N′-linked 1,2,4-triazoles by transamination

A facile one-step procedure for the preparation of 4,4′-bis-1,2,4- triazole is reported. Direct transamination of N,N-dimethyl-formamide azine dihydrochloride by heating with 4-amino-1,2,4-triazole in refluxing benzene readily yields the target molecule in short duration of time with significant yield (73%). This catalyst-free method was extended to synthesise a series of 4-substituted 1,2,4-triazoles of potential interest in coordination chemistry. Georg Thieme Verlag Stuttgart.