Methyl 1H-1,2,3-triazole-4-carboxylate

CAS No. 4967-77-5
Cat. No. CS-W006657
Purity≥97%
MDL No.MFCD12912989

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Methyl 1H-1,2,3-triazole-4-carboxylate|CS-W006657

Structure of 4967-77-5

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Description

Methyl 1H-1,2,3-triazole-4-carboxylate features a robust triazole heterocycle with a strategically positioned ester group, enabling direct functionalization in click chemistry applications. This bench-stable reagent integrates readily into bioconjugation workflows and serves as a key scaffold for synthesizing triazolyl-based pharmaceuticals and functional materials.

Application

Methyl 1H-1,2,3-triazole-4-carboxylate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its stable triazole core and ester functionality enable straightforward derivatization via hydrolysis, amidation, or nucleophilic substitution. The compound exhibits excellent bench stability, facilitates purification by standard chromatographic methods, and participates reliably in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, making it ideal for constructing bioactive scaffolds and conjugation workflows.

General Information

CAS No. 4967-77-5
Cat. No. CS-W006657
Purity ≥97%
MDL No. MFCD12912989
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₅N₃O₂
Molecular Weight None
Synonym(s) 1H-1,2,3-Triazole-4-carboxylic acid, methyl ester
SMILES O=C(C1=CNN=N1)OC

Computational Chemistry Data

TPSA 67.87
LogP -0.4087
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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Methyl 1H-1,2,3-triazole-4-carboxylate

CAS No. 4967-77-5

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