3357-42-4

Basic information

• Product Name: 3-phenyl-2H-1,2,4-triazole
• Synonyms: 3-phenyl-2H-1,2,4-triazole;3-Phenyl-1H-1,2,4-triazole;3-Phenyl-4H-1,2,4-triazole;1H-1,2,4-Triazole, 5-phenyl-;2-Fenil-1,3,4-triazolo [Italian];5-Phenyl-1H-1,2,4-triazole;S-Triazole, 3-phenyl-
• CAS NO: 3357-42-4
• Molecular Formula: C₈H₇N₃
• Molecular Weight: 145.17
• Mol File: 3357-42-4.mol
• Article Data: 33

Chemical Properties

• Melting Point: 177 °C
• Boiling Point: 332.7°Cat760mmHg
• Flash Point: 161.3°C
• Appearance: /
• Density: 1.214g/cm³
• Vapor Pressure: 0.000143mmHg at 25°C
• Refractive Index: 1.61
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 9.82±0.20(Predicted)
• CAS DataBase Reference: 3-phenyl-2H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-phenyl-2H-1,2,4-triazole(3357-42-4)
• EPA Substance Registry System: 3-phenyl-2H-1,2,4-triazole(3357-42-4)

Safety Data

• Hazardous Substances Data: 3357-42-4(Hazardous Substances Data)

Usage

General Description

3-phenyl-2H-1,2,4-triazole is a chemical compound with the molecular formula C8H7N3. It belongs to the class of triazole compounds, which are known for their diverse range of pharmaceutical and agricultural applications. 3-phenyl-2H-1,2,4-triazole is often used in the synthesis of various pharmaceuticals, including anti-fungal and anti-cancer drugs. It is also employed as an intermediate in the production of agrochemicals such as herbicides and fungicides. Additionally, 3-phenyl-2H-1,2,4-triazole is a versatile building block in organic synthesis, capable of undergoing various chemical reactions to produce a wide array of derivatives with different functional groups and properties.

InChI:InChI=1/C8H7N3/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6H,(H,9,10,11)

Upstream product

• 3414-94-6 5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione 
• 613-94-5 benzoic acid hydrazide 
• 77287-34-4 formamide 
• 825-60-5 benzimidic acid ethyl ester 
• 624-84-0 formic acid hydrazide 
• 15795-40-1 1-acetyl-3-phenyl-1,2,4-triazole 
• 22706-11-2 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione 
• 5351-66-6 benzoyl thiosemicarbazide 
• 55-21-0 benzamide 
• 18162-28-2 5-phenyl-1,2,4-triazine 
• 5333-86-8 ethyl benzimidate hydrochloride 
• 825-56-9 2-phenyl-1,3,4-oxadiazole 
• 68-12-2 N,N-dimethyl-formamide 
• 41876-75-9 N¹,N¹-dimethyl-N²-benzoylformamidine 

Downstream Products

• 1185190-44-6 4-(3,5-dimethylphenylsulfanyl)-3-iodo-6-methyl-5-(3-phenyl-[1,2,4]triazol-1-ylmethyl)pyridin-2(1H)-one 
• 1185190-97-9 4-(3,5-dimethylphenylsulfanyl)-3-iodo-6-methyl-5-(3-phenyl-[1,2,4]triazol-4-ylmethyl)pyridin-2(1H)-one 
• 2039-06-7 3,5-diphenyl-1,2,4-triazole 
• 3213-95-4 5-(4-(methyl)phenyl)-3-(phenyl)-1H-1,2,4-triazole 
• 60510-57-8 3-phenyl-5-o-tolyl-1H-1,2,4-triazole 
• 4156-04-1 5-(4-methoxyphenyl)-3-phenyl-1H-1,2,4-triazole 
• 87277-53-0 5-(p-chlorophenyl)-3-(phenyl)-1H-1,2,4-triazole 
• 118863-81-3 5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole 
• 56250-92-1 5-(p-bromophenyl)-3-(phenyl)-1H-1,2,4-triazole 
• 4057-66-3 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole 
• 89804-59-1 3-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole 
• 23164-60-5 4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine 
• 25433-29-8 2-(3-phenyl-1H-1,2,4-triazol-5-yl)-pyridine 
• 39696-58-7 1-methyl-3-phenyl-1H-1,2,4-triazole 

Relevant articles and documents

Quantitative analysis of solvent effects in highly aqueous media. Application of the SWAG procedures and a critical appraisal of the additivity principle

This paper describes a study on medium effects of 25 monohydric and polyhydric alcohols on the neutral hydrolysis of 1-benzoyl-3-phenyl-1,2,4-triazole in highly aqueous media. Dependences of pseudo-first-order rate constants on molality of added alcohol are quantitatively analyzed in terms of pairwise Gibbs energy interaction parameters for initial state and transition state. Additivity of pairwise group interaction parameters (SWAG procedure) is applied, and the validity of additivity is critically examined. Excellent additivity is observed in series of monohydric alcohols and vicinal diols. In series of polyhydric alcohols, group contributions to the observed rate effects, as expressed in pairwise group interaction parameters, are, however, strongly dependent on the position of hydroxyl groups in the alcohol. This (apparent) nonadditivity behavior is discussed in terms of the hydration characteristics of the cosolvents. The importance of hydration shell overlap in determining medium effects is supported by kinetic data in ternary 1-propanol-urea-water mixtures.

Synthesis of novel 1,2,4-trizaole- and isoxazol(in)e-containing heterocycles

A route for the regiospecific synthesis of 3-(triazol-3-yl)-1,2-isoxazol(in)e-5-yl-aryl derivatives has been developed by intermolecular 1,3-dipolar cycloaddition chemistry, and novel annulated compounds having triazole/isoxazole have been prepared by emp

Perturbation of SDS and CTAB Micelles by Complexation with Poly(ethylene oxide) and Poly(propylene oxide)

Pseudo-first-order rate constants have been determined for the neutral hydrolysis of 1-benzoyl-3-phenyl-1,2,4-triazole in aqueous solutions in the presence of SDS and CTAB micelles and SDS-PEO, SDS-PPO, and CTAB-PPO mixed micelles.The micellar rate inhibition of the hydrolysis is clearly modified as a result of micelle-polymer complexation, the effects being rather specific for the nature of the surfactant and the polymer.The kinetic data were analyzed by a simple pseudophase model.The results revealed stabilization of the micelles by interaction with the polymer and polymer-induced microenvironmental changes at the micellar binding sites of the substrate.Results from conductivity measurements facilitated the interpretation of the kinetic data.

The Critical Hydrophobic Interaction Concentration for Aqueous Tetra-n-butylammonium Bromide

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Stereochemical aspects of the hydration of carbohydrates. Kinetic medium effects of monosaccharides on a water-catalyzed hydrolysis reaction

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Design, synthesis, and biological activity of novel tetrahydropyrazolopyridone derivatives as FXa inhibitors with potent anticoagulant activity

A series of novel tetrahydropyrazolopyridone derivatives containing 1,3,4-triazole, triazolylmethyl, and partially saturated heterocyclic moieties as P2 binding element was designed, synthesized, and evaluated in vitro for anticoagulant activity in human and rabbit plasma. All compounds showed moderate to significant potency, and compounds 15b, 15c, 20b, 20c, and 22b were further examined for their inhibitory activity against human FXa in vitro. While compounds 15c and 22b were tested for rat venous thrombosis in vivo. The most promising compound 15c, with an IC50 (FXa) value of 0.14?μM and 98% inhibition rate, warranted further investigation as an FXa inhibitor.

PDE10 MODULATORS

The present invention relates to compounds of formula (I) wherein R1, R2, R3, R5, W, X, X1, Y, Y1, Z and Z1 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds inhibit PDE10A and can be used in the treatment of CNS disorders such as schizophrenia, Alzheimer's disease, and Parkinson's disease.