2039-06-7

Basic information

• Product Name: 3,5-Diphenyl-4H-1,2,4-triazole
• Synonyms: 3,5-Diphenyl-1H-1,2,4-triazole;3,5-Diphenyl-4H-1,2,4-triazole
• CAS NO: 2039-06-7
• Molecular Formula: C₁₄H₁₁N₃
• Molecular Weight: 221.28
• Mol File: 2039-06-7.mol
• Article Data: 64

Chemical Properties

• Melting Point: 192°C
• Boiling Point: 352.32°C (rough estimate)
• Flash Point: 206.8°C
• Appearance: /
• Density: 1.1882 (rough estimate)
• Vapor Pressure: 6.1E-08mmHg at 25°C
• Refractive Index: 1.5770 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 9.46±0.40(Predicted)
• CAS DataBase Reference: 3,5-Diphenyl-4H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Diphenyl-4H-1,2,4-triazole(2039-06-7)
• EPA Substance Registry System: 3,5-Diphenyl-4H-1,2,4-triazole(2039-06-7)

Safety Data

• Hazardous Substances Data: 2039-06-7(Hazardous Substances Data)

Usage

Chemical Properties

White solid

Synthesis Reference(s)

Tetrahedron, 26, p. 2619, 1970 DOI: 10.1016/S0040-4020(01)92836-4

InChI:InChI=1/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)

Upstream product

• 729-44-2 1,2-bis[chloro(phenyl)methylidene]hydrazone 
• 93-89-0 benzoic acid ethyl ester 
• 614-28-8 N-benzoylbenzamide 
• 563-41-7 semicarbazide hydrochloride 
• 14478-73-0 3,6-diphenyl-1,2-dihydro-1,2,4,5-tetrazine 
• 3049-45-4 4-amino-3,5-diphenyl-4H-1,2,4-triazole 
• 4057-68-5 N-benzoyl-benzamidrazone 
• 13961-06-3 N¹-(α-Aminobenzyliden)benzamidrazon 
• 60339-74-4 N-benzylidene-N''-hydroxy-benzamidrazone 
• 108-24-7 acetic anhydride 
• 55-21-0 benzamide 
• 613-94-5 benzoic acid hydrazide 
• 1068-57-1 acetic acid hydrazide 
• 100-47-0 benzonitrile 

Downstream Products

• 64017-21-6 3,5-diphenyl-1-methyl-1H-1,2,4-triazole 
• 114505-92-9 C₂₃H₁₅N₃O₂ 
• 80465-12-9 1-benzyl-3,5-diphenyl-1H-1,2,4-triazole 
• 25855-18-9 1-cyclohexyl-3,5-diphenyl-1H-1,2,4-triazole 
• 129877-85-6 1-<(S)-2-butyl>-3,5-diphenyl-1H-1,2,4-triazole 
• 32675-48-2 1-ethyl-3,5-diphenyl-1H-1,2,4-triazole 
• 193685-25-5 1-crotyl-3,5-diphenyl-1H-1,2,4-triazole 
• 193685-24-4 1-(1-methylallyl)-3,5-diphenyl-1H-1,2,4-triazole 
• 193685-33-5 1-(3-methyl-2-butenyl)-3,5-diphenyl-1H-1,2,4-triazole 
• 34985-93-8 1-amino-3,5-diphenyl-1,2,4-triazole 

Relevant articles and documents

C-(β-d-Glucopyranosyl)formamidrazones, formic acid hydrazides and their transformations into 3-(β-d-glucopyranosyl)-5-substituted-1,2,4- triazoles: A synthetic and computational study

Synthesis of O-perbenzoylated 3-(β-d-glucopyranosyl)-5-substituted-1, 2,4-triazoles, precursors of potent inhibitors of glycogen phosphorylase, was studied by ring closures of N1-acyl-carboxamidrazone type intermediates. Reactions of C-(β-d-glu

The Synthesis of 1,3,5-Thiadiazinylium Salts

1,3,5-Thiadiazinylium salts were synthesized in good yields by the reaction of N-acyl imidoyl chlorides with thioamides or the treatment of 4H-1,3,5-thiadiazines with trityl salts.

Solid phase synthesis of 1,2,4-triazoles under microwave irradiation

1,2,4-Triazoles (3a-g) have been prepared from three component condensation reaction of acid hydrazide (1), S-methyl isothioamide hydroiodide (2), and ammonium acetate on the surface of silica gel under microwave irradiation.

A base-catalyzed, direct synthesis of 3,5-disubstituted 1,2,4-triazoles from nitriles and hydrazides

A convenient and efficient one step, base-catalyzed synthesis of 3,5-disubstituted 1,2,4-triazoles by the condensation of a nitrile and a hydrazide is presented. A diverse range of functionality and heterocycles are tolerated under the reaction conditions

Method for preparing 1,3,5-trisubstituted-1,2,4-triazole derivative in one step

The invention discloses a method for preparing a 1,3,5-trisubstituted-1,2,4-triazole derivative in one step, and belongs to the technical field of organic chemical synthesis. According to the method,a simple nitrile compound and a hydrazine compound are u

A practical base mediated synthesis of 1,2,4-triazoles enabled by a deamination annulation strategy

A rapid and efficient base mediated synthesis of 1,3,5-trisubstituted 1,2,4-triazoles has been developed using the annulation of nitriles with hydrazines, which can be expanded to a wide range of triazoles in good to excellent yields. Ammonia gas is liberated during the reaction, and halo and hetero functional groups as well as free hydroxyl and amino groups are tolerated in this transformation. A variety of alkyl and aryl-substituted nitriles can be functionalized with aromatic and aliphatic hydrazines employing this procedure. This finding provides a practical and useful strategy for the synthesis of various 15N-labeled 1,2,4-triazole derivatives, and two types of mGlu5 receptor pharmaceuticals can be easily assembled in a one-pot manner. This journal is