CAS 1019111-23-9

2-[2-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)phenoxy]acetic acid

Description:

2-[2-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)phenoxy]acetic acid, with the CAS number 1019111-23-9, is a chemical compound characterized by its unique structure that includes a phenoxy group and a triazole moiety. This compound typically exhibits properties associated with both herbicidal and fungicidal activities, making it of interest in agricultural applications. The presence of the triazole ring contributes to its biological activity, as triazoles are known for their ability to inhibit certain enzymes involved in the biosynthesis of sterols, which are crucial for cell membrane integrity in fungi and plants. Additionally, the dimethyl substitution on the triazole enhances its lipophilicity, potentially improving its absorption and efficacy. The carboxylic acid functional group in the structure may also influence its solubility and reactivity in various environments. Overall, this compound represents a class of agrochemicals that can be utilized for crop protection, with specific attention to its mode of action and environmental impact.

Formula: C₁₂H₁₃N₃O₃

InChI: InChI=1S/C12H13N3O3/c1-8-13-14-9(2)15(8)10-5-3-4-6-11(10)18-7-12(16)17/h3-6H,7H2,1-2H3,(H,16,17)

InChI key: InChIKey=WJEXRMNIYGGDDG-UHFFFAOYSA-N

SMILES: O(CC(O)=O)C1=C(C=CC=C1)N2C(C)=NN=C2C

Synonyms:

• 2-[2-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)phenoxy]acetic acid
• Acetic acid, 2-[2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)phenoxy]-