3213-91-0

Basic information

• Product Name: 3-Methyl-5-phenyl-1H-1,2,4-triazole
• Synonyms: 3-Methyl-5-phenyl-1H-1,2,4-triazole
• CAS NO: 3213-91-0
• Molecular Formula: C₉H₉N₃
• Molecular Weight: 159.18786
• Mol File: 3213-91-0.mol
• Article Data: 21

Chemical Properties

• Melting Point: 164.5 °C
• Boiling Point: 354.1 °C at 760 mmHg
• Flash Point: 169.8 °C
• Appearance: /
• Density: 1.172 g/cm³
• PKA: 10.24±0.40(Predicted)
• CAS DataBase Reference: 3-Methyl-5-phenyl-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-5-phenyl-1H-1,2,4-triazole(3213-91-0)
• EPA Substance Registry System: 3-Methyl-5-phenyl-1H-1,2,4-triazole(3213-91-0)

Safety Data

• Hazardous Substances Data: 3213-91-0(Hazardous Substances Data)

Upstream product

• 55-21-0 benzamide 
• 1068-57-1 acetic acid hydrazide 
• 20959-22-2 3,6-dimethyl-2-phenylpyrimidine-4(3H)-one 
• 613-94-5 benzoic acid hydrazide 
• 62-55-5 thioacetamide 
• 2227-79-4 benzenecarbothioamide 
• 104562-85-8 C₁₃H₁₇N₃O₂*HI 
• 1575-95-7 N-acetylbenzamide 
• 563-41-7 semicarbazide hydrochloride 
• 5333-86-8 ethyl benzimidate hydrochloride 
• 1228801-83-9 1,2-bis(ethoxycarbonyl)-3-methyl-5-phenyl-2,3-dihydro-1H-1,2,4-triazole-3-carboxylic acid 
• 1670-14-0 benzamidine monohydrochloride 
• 75-05-8 acetonitrile 
• 124-42-5 acetamidine hydrochloride 

Downstream Products

• 1426444-28-1 2-(5-methyl-3-phenyl-1H-1,2,4-triazol-1-yl)ethanamine hydrochloride 
• 1426444-27-0 tert-butyl 2-(5-methyl-3-phenyl-1H-1,2,4-triazol-1-yl)ethylcarbamate 
• 104936-67-6 1-benzyl-5-methyl-3-phenyl-1H-1,2,4-triazole 
• 68301-11-1 1,5-dimethyl-3-phenyl-1H-1,2,4-triazole 
• 68301-12-2 1,3-dimethyl-5-phenyl-1H-1,2,4-triazole 

Relevant articles and documents

TBHP/TBAI–Mediated simple and efficient synthesis of 3,5-disubstituted and 1,3,5-trisubstituted 1H-1,2,4-triazoles via oxidative decarbonylation of aromatic aldehydes and testing for antibacterial activities

The author has developed a simple, efficient and eco–friendly convenient general method for synthesis of 3,5–disubstituted–1,2,4–triazoles and 1,3,5–trisubstituted–1,2,4–triazoles from 3–monosubstituted–1,2,4–triazoles and 1,3–disubstituted–1,2,4–triazoles respectively using tetrabutylammonium iodide (TBAI) as catalyst and TBHP as oxidant under mid reaction conditions. This method provides structurally diverse 3,5–disubstituted 1,2,4–triazoes and 1,3,5––trisubstituted–1,2,4–triazoles in good to excellent yields. 3,5–Disubstituted 1,2,4–triazoes and 1,3,5––trisubstituted–1,2,4–triazoles derivatives are biologically and pharmaceutically active molecules, and therefore, this protocol could be of wide applications in medicinal chemistry and organic chemistry.

An efficient and recyclable heterogeneous catalytic system for the synthesis of 1,2,4-triazoles using air as the oxidant

Copper-zinc supported on Al2O3-TiO2 was found as a simple and efficient heterogeneous catalyst for the oxidative synthesis of 1,2,4-triazole derivatives using air as the green oxidant under ligand-, base- and additive-free conditions. The heterogeneous reactions carried out smoothly with a large range of substrates, including NO2-, vinyl-, pyrimidine- and imidazole-contained starting materials, and provided corresponding triazoles in moderate to excellent yields with low catalyst loading (1.6 mol%). Furthermore, the catalyst can be simply recycled many times without significant loss in catalytic activity. The Royal Society of Chemistry.

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 as medicaments.