2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline

Name: 2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline
Brand: ChemScene
Availability: InStock
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CAS No. 1609394-10-6
Cat. No. CS-0120604
Purity≥98%
MDL No.MFCD30489435

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2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline|CS-0120604

Structure of 1609394-10-6

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General Information

CAS No. 1609394-10-6
Cat. No. CS-0120604
Purity ≥98%
MDL No. MFCD30489435
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂N₄O
Molecular Weight None
Synonym(s) BMT-166292-01
SMILES NC1=CC=CC(C2=NN(C)C=N2)=C1OC

Description

2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline features a methoxy group and a sterically hindered triazolyl moiety positioned ortho to the aniline nitrogen, enabling enhanced solubility and stability in polar solvents. This combination facilitates efficient coupling reactions and supports integration into bioactive scaffolds for medicinal chemistry applications.

Application

2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline serves as a versatile building block for heterocyclic synthesis, enabling efficient access to triazolyl-substituted anilines via standard coupling and functionalization protocols. The methoxy group enhances solubility and modulates electronic properties, while the 1-methyl-1H-1,2,4-triazol-3-yl moiety offers robust stability and favorable reactivity in cross-coupling and cyclization reactions. This compound functions reliably in medicinal chemistry campaigns requiring ortho-substituted aniline scaffolds with enhanced metabolic resistance and hydrogen-bonding capacity.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P310-P330-P501

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Computational Chemistry Data

TPSA 65.96
LogP 1.0729
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline

CAS No. 1609394-10-6

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