3,5-dibromo-1-methyl-1,2,4-triazole

Name: 3,5-dibromo-1-methyl-1,2,4-triazole
Brand: ChemScene
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CAS No. 23579-79-5
Cat. No. CS-0061739
Purity≥98%
MDL No.None

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3,5-dibromo-1-methyl-1,2,4-triazole|CS-0061739

Structure of 23579-79-5

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Description

3,5-Dibromo-1-methyl-1,2,4-triazole features a brominated triazole core with enhanced electrophilicity at the 3 and 5 positions, enabling efficient coupling in transition metal-catalyzed transformations. The methyl group stabilizes the heterocyclic scaffold, improving bench stability and solubility in organic media. This compound serves as a key building block for synthesizing bioactive triazoles and functionalized ligands.

Application

3,5-Dibromo-1-methyl-1,2,4-triazole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted triazole scaffolds via palladium-catalyzed cross-coupling reactions. The bromo substituents provide orthogonal reactivity for sequential functionalization, while the methyl group enhances stability and solubility. This compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and process-scale applications.

General Information

CAS No. 23579-79-5
Cat. No. CS-0061739
Purity ≥98%
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₃Br₂N₃
Molecular Weight 240.88
Synonym(s) 3,5-dibromo-1-methyl-1H-1,2,4-triazole
SMILES CN1C(=NC(=N1)Br)Br

Computational Chemistry Data

TPSA 30.71
LogP 1.3401
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

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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3,5-dibromo-1-methyl-1,2,4-triazole

CAS No. 23579-79-5

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