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

Name: Methyl 1-phenyl-1H-1,2,3-triazole-4-carboxylate
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CAS No. 2055-52-9
Cat. No. CS-0616353
Purity≥97%
MDL No.None

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Methyl 1-phenyl-1H-1,2,3-triazole-4-carboxylate|CS-0616353

Structure of 2055-52-9

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Description

Methyl 1-phenyl-1H-1,2,3-triazole-4-carboxylate features a rigid triazole core flanked by an aryl group and ester functionality, enabling direct incorporation into bioconjugation workflows. This bench-stable compound delivers efficient coupling under mild conditions, pairing readily with nucleophiles to form stable linkages in drug discovery applications.

Application

Methyl 1-phenyl-1H-1,2,3-triazole-4-carboxylate serves as a versatile building block in medicinal and synthetic chemistry, enabling efficient access to triazolyl-containing scaffolds. Its robust stability under standard reaction conditions facilitates coupling with nucleophiles, metal-catalyzed transformations, and derivatization of the ester group. The phenyl-substituted triazole core provides favorable electronic properties for downstream functionalization, making it a reliable reagent in heterocycle synthesis and API development workflows.

General Information

CAS No. 2055-52-9
Cat. No. CS-0616353
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉N₃O₂
Molecular Weight 203.20
Synonym(s) None
SMILES O=C(C1=CN(C2=CC=CC=C2)N=N1)OC

Computational Chemistry Data

TPSA 57.01
LogP 1.0539
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

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-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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

CAS No. 2055-52-9

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