4999-94-4

Basic information

• Product Name: 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(4-nitrophenyl)-, dimethyl ester
• Synonyms: 1-(4-Nitro-phenyl)-1H-[1,2,3]triazol-4,5-dicarbonsaeure-dimethylester;1-(4-Nitro-phenyl)-1,2,3-triazol-dicarbonsaeure-(4,5)-dimethylester
• CAS NO: 4999-94-4
• Molecular Formula: C12H10N4O6
• Molecular Weight: 306.235
• Mol File: 4999-94-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(4-nitrophenyl)-, dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(4-nitrophenyl)-, dimethyl ester(4999-94-4)
• EPA Substance Registry System: 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(4-nitrophenyl)-, dimethyl ester(4999-94-4)

Safety Data

• Hazardous Substances Data: 4999-94-4(Hazardous Substances Data)

Usage

Structure

Dimethyl ester derivative of 1H-1,2,3-triazole-4,5-dicarboxylic acid and 4-nitrophenol

Functional groups

Ester, nitro, triazole, and carboxylic acid groups

Appearance

Unknown, but likely a solid or crystalline material

Solubility

Likely soluble in organic solvents such as ethanol, methanol, or dimethyl sulfoxide (DMSO)

Stability

Stable under normal conditions, but may decompose upon exposure to heat, light, or strong acids/bases

Reactivity

Reacts with nucleophiles, such as amines or thiols, to form various heterocyclic compounds

Applications

Used in organic synthesis as a building block for heterocyclic compounds, and studied for potential pharmacological and biological activities, such as antimicrobial and antiviral properties

Potential uses

Development of new drug candidates and other biologically active molecules

Safety

Unknown, but should be handled with care due to the presence of a nitro group, which can be potentially explosive under certain conditions. Appropriate safety measures should be taken when working with this compound.

Upstream product

• 762-42-5 dimethyl acetylenedicarboxylate 
• 1516-60-5 4-nitrophenyl azide 
• 1829-60-3 dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate 
• 1829-60-3 dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate 
• 19019-88-6 7-isopropylidene-2,3-dicarbomethoxynorbornadiene 
• 947-57-9 dimethyl bicyclo[2.2.1]hept-2,5-diene-2,3-dicarboxylate 

Downstream Products

• 156361-37-4 C₁₀H₁₀N₈O₄ 

Relevant articles and documents

1,2,3-triazole[4,5-d]pyridazines-II. New derivatives tested on adenosine receptors

This paper reports the synthesis and biological evaluation towards A1 and A2 adenosine receptors of new 1,2,3-triazole[4,5-d]pyridazines bearing lipophilic substituents in the 1 position. Some 1-benzyl-4-substituted amino derivatives

SITE SELECTIVITY IN THE REACTIONS OF 1,3-DIPOLES WITH NORBORNADIENE DERIVATIVES

The cycloadditions of arylazides, benzonitrile oxides and diphenylnitrile imine to norbornadiene derivatives 1a-c showed varying degree of site- and stereo-selectivity.With dipolarophile 1a arylazides and benzonitrile oxides attack, preferentially, the electron-poor tetrasubstituted double bond, while in the case of 1b and 1c is the substituted double bond which enters the cycloaddition.By contrast, 2-diazopropane and C-phenyl-N-methylnitrone react with the sole tetrasubstituted double bond of 1a-c in stereo- and site-specific cycloadditions.The quantitative evaluation of the two possible reaction paths was performed by glc analysis.The compounds detected were those arising from Diels-Alder cycloreversions of the thermally labile intermediate adducts 2 and 3 (Scheme 1).The results were rationalized on the basis of a qualitative perturbation treatment which considers frontier orbital interactions only.