3,5-Dimethyl-4H-1,2,4-triazole

Name: 3,5-Dimethyl-4H-1,2,4-triazole
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CAS No. 7343-34-2
Cat. No. CS-W011336
Molecule weight97.12
Purity≥95%
MDL No.None

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3,5-Dimethyl-4H-1,2,4-triazole|CS-W011336

Structure of 7343-34-2

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General Information

CAS No. 7343-34-2
Cat. No. CS-W011336
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₇N₃
Molecular Weight 97.12
Synonym(s) 4H-1,2,4-triazole, 3,5-dimethyl-
SMILES CC1=NN=C(C)N1

Description

3,5-Dimethyl-4H-1,2,4-triazole features a sterically hindered triazole core with two methyl groups enhancing electron density at the ring nitrogen atoms. This bench-stable heterocycle serves as a robust scaffold in catalytic systems and ligand design, offering improved solubility in organic media compared to unsubstituted analogs.

Application

3,5-Dimethyl-4H-1,2,4-triazole serves as a versatile building block in medicinal chemistry and catalysis, offering enhanced stability and solubility compared to unsubstituted analogs. Its regioselective reactivity facilitates efficient functionalization at the C4 position, enabling direct incorporation into bioactive heterocycles. The molecule functions effectively as a ligand in transition metal complexes and supports diverse transformations under mild conditions, making it valuable for high-throughput synthesis and process development.

Synthesis

Route1
- In-stock
  
  625-77-4
- ~%
- In-stock
  
  7343-34-2
References
- Monatshefte fuer Chemie, , vol. 36, p. 530
Route2
- 3069-07-6
- ~%
- In-stock
  
  7343-34-2
References
- Chemische Berichte, , vol. 32, p. 797 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 69, p. 150
Route3
- In-stock
  
  62-55-5
- In-stock
  
  1068-57-1
- ~42%
- In-stock
  
  7343-34-2
References
- Vanek, Tomas; Velkova, Vlasta; Gut, Jiri Collection of Czechoslovak Chemical Communications, 1984 , vol. 49, # 11 p. 2492 - 2495

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 41.57
LogP 0.42154
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Key Words

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3,5-Dimethyl-4H-1,2,4-triazole

CAS No. 7343-34-2

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