126799-97-1

Basic information

• Product Name: dimethyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate
• Synonyms: dimethyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate
• CAS NO: 126799-97-1
• Molecular Formula: C₁₃H₁₂BrN₃O₄
• Molecular Weight: 354.15608
• Mol File: 126799-97-1.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: dimethyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: dimethyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate(126799-97-1)
• EPA Substance Registry System: dimethyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate(126799-97-1)

Safety Data

• Hazardous Substances Data: 126799-97-1(Hazardous Substances Data)

Upstream product

• 107047-10-9 p-bromobenzylazide 
• 762-42-5 dimethyl acetylenedicarboxylate 
• 589-15-1 1-bromomethyl-4-bromobenzene 
• 873-75-6 4-bromobenzenemethanol 
• 1122-91-4 4-bromo-benzaldehyde 

Relevant articles and documents

Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives

This study focused on synthesis various dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives under the conditions of green chemistry without the use of solvent and catalysts. Their inhibition properties were also investigated on xanthine oxidase (XO) activity. All dimethanol and dicarboxylate derivatives exhibited significant inhibition activities with IC50 values ranging from 0.71 to 2.25 μM. Especially, (1-(3-bromobenzyl)-1H-1,2,3-triazole-4,5-diyl)dimethanol (5c) and dimethyl 1-(4-chlorobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate (6 g) compounds were found to be the most promising derivatives on the XO enzyme inhibition with IC50 values 0.71 and 0.73 μM, respectively. Moreover, the double docking procedure was to evaluate compound modes of inhibition and their interactions with the protein (XO) at atomic level. Surprisingly, the docking results showed a good correlation with IC50 [correlation coefficient (R2 = 0.7455)]. Also, the docking results exhibited that the 5c, 6f and 6 g have lowest docking scores ?4.790, ?4.755, and ?4.730, respectively. These data were in agreement with the IC50 values. These results give promising beginning stages to assist in the improvement of novel and powerful inhibitor against XO.

Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions

We report a rare example of the malonamide functionality being used as a ligand in copper catalysis. We have ligated a homologous series of these O,O-chelating architectures to copper, investigated their structure and exploited them in azide-alkyne cycloa

Dipolar Cycloaddition Reactions of Organic Azides with some Acetylenic Compounds

Phenyl azide 1 and several substituted benzyl azides 2a-o underwent 1,3-dipolar cycloaddition reactions with dimethyl acrtylenedicarboxylate 3, phenylacetylene 4 and ethyl propiolate 5 to afford the triazoles 6-13.The reactions of these azides with ethyl