CAS 94361-07-6

rel-(αS)-α-(4-Chlorophenyl)-α-[(1R)-1-cyclopropylethyl]-1H-1,2,4-triazole-1-ethanol

Description:

The chemical substance known as rel-(αS)-α-(4-Chlorophenyl)-α-[(1R)-1-cyclopropylethyl]-1H-1,2,4-triazole-1-ethanol, with the CAS number 94361-07-6, is a triazole derivative that exhibits notable characteristics relevant to its potential applications in various fields, particularly in agriculture as a fungicide. This compound features a triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms, contributing to its biological activity. The presence of a 4-chlorophenyl group enhances its lipophilicity, potentially improving its ability to penetrate biological membranes. Additionally, the cyclopropylethyl moiety may influence its interaction with target enzymes or receptors. The compound's stereochemistry, indicated by the (αS) and (1R) designations, suggests specific spatial arrangements that can affect its pharmacological properties and efficacy. Overall, this substance is of interest for its potential role in crop protection and may exhibit fungicidal activity against various pathogens, although specific efficacy and safety profiles would require further investigation through empirical studies.

Formula: C₁₅H₁₈ClN₃O

InChI: InChI=1/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15+/s2

InChI key: InChIKey=UFNOUKDBUJZYDE-VFYXSWHGNA-N

SMILES: [C@@]([C@@H](C)C1CC1)(CN2C=NC=N2)(O)C3=CC=C(Cl)C=C3

Synonyms:

• 1H-1,2,4-Triazole-1-ethanol, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-, (R*,S*)-(?à)-
• 1H-1,2,4-Triazole-1-ethanol, α-(4-chlorophenyl)-α-(1-cyclopropylethyl)-, (R*,S*)-
• 1H-1,2,4-Triazole-1-ethanol,a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-, (R*,S*)-(9CI)
• rel-(αS)-α-(4-Chlorophenyl)-α-[(1R)-1-cyclopropylethyl]-1H-1,2,4-triazole-1-ethanol
• 1H-1,2,4-Triazole-1-ethanol, α-(4-chlorophenyl)-α-[(1R)-1-cyclopropylethyl]-, (αS)-rel-

(AlphaS)​-​rel-α-​(4-​Chlorophenyl)​-​α-​[(1R)​-​1-​cyclopropylethyl]​-​1H-​1,​2,​4-​triazole-​1-​ethanol

Controlled Product

CAS: 94361-07-6

Stability Hygroscopic
Applications (αS)​-​rel-α-​(4-​Chlorophenyl)​-​α-​[(1R)​-​1-​cyclopropylethyl]​-​1H-​1,​2,​4-​triazole-​1-​ethanol is a diastereomer of Cyproconazole (C989070), a fungicide treatment for wood preservative that prevents decay from fungi in above-ground applications.
References Aiello, D., et al.: Plant. Disease., 97, 37 (2013); Bakirci, G.T., et al.: Food. Chem., 135, 1901 (2012); Sugitate, K., et al.: J. Pesticides. Sci., 37, 148 (2012);

Formula: C₁₅H₁₈ClN₃O

Color and Shape: Neat

Molecular weight: 291.78

Ref: TR-C597055