CAS 194419-32-4

5-[4-(1,1-Dimethylethyl)phenyl]-1H-1,2,4-triazole-3-acetic acid

Description:

5-[4-(1,1-Dimethylethyl)phenyl]-1H-1,2,4-triazole-3-acetic acid, with the CAS number 194419-32-4, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a phenyl group substituted with a tert-butyl group, enhancing its hydrophobic properties. The presence of the acetic acid moiety contributes to its potential as a weak acid, which may influence its solubility and reactivity in various environments. The compound is often studied for its biological activity, particularly in agricultural applications as a fungicide or plant growth regulator. Its structural characteristics suggest potential interactions with biological targets, making it of interest in medicinal chemistry as well. The stability of the triazole ring and the substituents can affect its pharmacokinetic properties, including absorption, distribution, metabolism, and excretion. Overall, this compound exemplifies the intersection of organic chemistry and agrochemical applications, showcasing the importance of structural modifications in influencing chemical behavior and efficacy.

Formula: C₁₄H₁₇N₃O₂

InChI: InChI=1S/C14H17N3O2/c1-14(2,3)10-6-4-9(5-7-10)13-15-11(16-17-13)8-12(18)19/h4-7H,8H2,1-3H3,(H,18,19)(H,15,16,17)

InChI key: InChIKey=OGPYPOYISFEBSP-UHFFFAOYSA-N

SMILES: C(C(O)=O)C=1NC(=NN1)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• 2-(3-(4-(tert-Butyl)phenyl)-1H-1,2,4-triazol-5-yl)acetic acid
• 5-[4-(1,1-Dimethylethyl)phenyl]-1H-1,2,4-triazole-3-acetic acid
• 1H-1,2,4-Triazole-3-acetic acid, 5-[4-(1,1-dimethylethyl)phenyl]-

2-(3-(4-(Tert-butyl)phenyl)-1H-1,2,4-triazol-5-yl)acetic acid

CAS: 194419-32-4

2-(3-(4-(Tert-butyl)phenyl)-1H-1,2,4-triazol-5-yl)acetic acid

Purity: 97%

Ref: 54-OR1039526

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

CAS: 194419-32-4

Purity: 97%

Molecular weight: 259.3089905

Ref: 10-F824152