6085-94-5

Basic information

• Product Name: 1-BENZYL-1,2,4-TRIAZOLE
• Synonyms: 1-BENZYL-1,2,4-TRIAZOLE;1-benzyl-1h-1,2,4-triazole;4-triazole,1-(phenylmethyl)-1h-2;4-triazole,1-benzyl-1h-2;1-Phenylmethyl-1H-1,2,4-triazole;L-22080
• CAS NO: 6085-94-5
• Molecular Formula: C₉H₉N₃
• Molecular Weight: 159.19
• Mol File: 6085-94-5.mol
• Article Data: 27

Chemical Properties

• Boiling Point: 321.6 °C at 760 mmHg
• Flash Point: 148.3 °C
• Appearance: /
• Density: 1.13 g/cm³
• Vapor Pressure: 0.000294mmHg at 25°C
• Refractive Index: 1.613
• CAS DataBase Reference: 1-BENZYL-1,2,4-TRIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZYL-1,2,4-TRIAZOLE(6085-94-5)
• EPA Substance Registry System: 1-BENZYL-1,2,4-TRIAZOLE(6085-94-5)

Safety Data

• Hazardous Substances Data: 6085-94-5(Hazardous Substances Data)

Usage

General Description

1-Benzyl-1,2,4-triazole is a chemical compound that belongs to the class of triazole derivatives. It is commonly used as a ligand in organometallic chemistry and also finds application in the field of pharmaceuticals, agrochemicals, and material science. Its chemical structure consists of a benzyl group attached to a 1,2,4-triazole ring, which provides the compound with unique properties and reactivity. It is also known to exhibit antifungal and antimicrobial properties, making it a potential candidate for the development of new drugs and agrochemicals. Additionally, 1-benzyl-1,2,4-triazole has been studied for its potential use in corrosion inhibition and as a stabilizer in polymer materials. Overall, this compound has a wide range of applications and continues to be a subject of research in various fields of chemistry and materials science.

InChI:InChI=1/C9H9N3/c1-2-4-9(5-3-1)6-12-8-10-7-11-12/h1-5,7-8H,6H2

Upstream product

• 288-88-0 1,2,4-Triazole 
• 584-13-4 4-amino-1,2,4-triazole 
• 108223-02-5 1-Methyl-5-(1,2,4-triazolyl)phosphonic acid diethyl ester 
• 25857-87-8 1-benzyl-1,2,4-triazolio-4-benzoylamidat 
• 6085-98-9 4-amino-1-benzyl-1,2,4-triazolium chloride 
• 100-39-0 benzyl bromide 
• 18293-54-4 1-trimethylsilyl-1,2,4-triazole 
• 100-44-7 benzyl chloride 
• 100-51-6 benzyl alcohol 
• 41253-21-8 sodium triazole 
• 16227-13-7 4-benzyl-4H-1,2,4-triazole 

Downstream Products

• 66519-70-8 2-benzyl-2H-benzo[d][1,2,3]triazole 
• 4706-43-8 1-benzyl-1H-benzotriazole 
• 1435949-32-8 [(1-benzyl-5-(diphenylphosphino)-1H-1,2,4-triazole)(triphenylphosphine)2Cu₂I₂] 
• 128136-96-9 1,4-dibenzyl-4H-1,2,4-triazol-1-ium bromide 

Relevant articles and documents

Functionalization of 1,3,4-Oxadiazoles and 1,2,4-Triazoles via Selective Zincation or Magnesiation Using 2,2,6,6-Tetramethylpiperidyl Bases

We report the metalation of the 1,3,4-oxadiazole and 1,2,4-triazole scaffolds via regioselective zincation or magnesiation using the TMP bases (TMP = 2,2,6,6-tetramethylpiperidyl) TMP2Zn·2LiCl, TMP2Zn·2MgCl2·2LiCl, TMPMgCl

Derisking the Cu-Mediated 18F-Fluorination of Heterocyclic Positron Emission Tomography Radioligands

Molecules labeled with fluorine-18 (18F) are used in positron emission tomography to visualize, characterize and measure biological processes in the body. Despite recent advances in the incorporation of 18F onto arenes, the development of general and efficient approaches to label radioligands necessary for drug discovery programs remains a significant task. This full account describes a derisking approach toward the radiosynthesis of heterocyclic positron emission tomography (PET) radioligands using the copper-mediated 18F-fluorination of aryl boron reagents with 18F-fluoride as a model reaction. This approach is based on a study examining how the presence of heterocycles commonly used in drug development affects the efficiency of 18F-fluorination for a representative aryl boron reagent, and on the labeling of more than 50 (hetero)aryl boronic esters. This set of data allows for the application of this derisking strategy to the successful radiosynthesis of seven structurally complex pharmaceutically relevant heterocycle-containing molecules.

N-Alkylation of amines with alcohols over nanosized zeolite beta

Direct N-alkylation of amines with alcohols was successfully performed by using nanosized zeolite beta, which showed the highest catalytic activity among other conventional zeolites. This method has several advantages, such as eco-friendliness, moderate to high yields, and simple work-up procedure. The catalyst was successfully recovered and reused without significant loss of activity and only water is produced as co-product. In addition, imines were also efficiently prepared from the tandem reactions of amines with 2-, 3- and 4-nitrobenzyl alcohols using nanosized zeolite beta.