107659-86-9

Basic information

• Product Name: 1-{[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole
• Synonyms: 1H-1,2,4-Triazole, 1-(((4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl)methyl)-; 1H-1,2,4-Triazole, 1-[[rel-(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl]-
• CAS NO: 107659-86-9
• Molecular Formula: C₁₈H₁₄Cl₂FN₃O₂
• Molecular Weight: 394.2271
• Mol File: 107659-86-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 526.2°C at 760 mmHg
• Flash Point: 272°C
• Density: 1.46g/cm³
• Vapor Pressure: 3.66E-11mmHg at 25°C
• Refractive Index: 1.649
• CAS DataBase Reference: 1-{[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-{[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole(107659-86-9)
• EPA Substance Registry System: 1-{[(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1,3-dioxolan-4-yl]methyl}-1H-1,2,4-triazole(107659-86-9)

Safety Data

• Hazardous Substances Data: 107659-86-9(Hazardous Substances Data)

Usage

Chemical structure

A complex compound with a 1,2,4-triazole ring, a dioxolan-4-yl group, 2,4-dichlorophenyl and 4-fluorophenyl substituents.

Stereochemistry

The compound has a specific stereochemistry, with the 4S,5R configuration.

Functional groups

Contains a 1,2,4-triazole ring, a dioxolan-4-yl group, and aryl substituents.

Potential application

Likely a triazole antifungal agent due to the presence of a 1,2,4-triazole ring.

Mechanism of action

Inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.

Biological effects

The specific structure suggests potent antifungal activity, but further research is needed to determine its precise biological effects.

Potential applications

If proven effective, the compound could be used as an antifungal drug to treat fungal infections.

Further research

Additional studies are necessary to confirm the compound's antifungal properties, efficacy, and safety for potential use in medicine.

Upstream product

• 94147-89-4 2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-2-hydroxy-3-[1,2,4]triazol-1-yl-propan-1-one 
• 74-97-5 chlorobromomethane 
• 107659-48-3 (1R,2S)-2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-3-[1,2,4]triazol-1-yl-propane-1,2-diol 

Relevant articles and documents

Synthesis and oral antifungal activity of novel azolylpropanolones and related compounds

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