14331-67-0

Basic information

• Product Name: 4H-1,2,4-Triazole, 4-(4-methylphenyl)-3-phenyl-
• CAS NO: 14331-67-0
• Molecular Formula: C15H13N3
• Molecular Weight: 235.288
• Mol File: 14331-67-0.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 4H-1,2,4-Triazole, 4-(4-methylphenyl)-3-phenyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-1,2,4-Triazole, 4-(4-methylphenyl)-3-phenyl-(14331-67-0)
• EPA Substance Registry System: 4H-1,2,4-Triazole, 4-(4-methylphenyl)-3-phenyl-(14331-67-0)

Safety Data

• Hazardous Substances Data: 14331-67-0(Hazardous Substances Data)

Upstream product

• 63314-58-9 4-(4-methylphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 
• 13278-67-6 4-(4-methylphenyl)-3-thiosemicarbazide 
• 85636-43-7 N-methyl-N-(phenylsulfonyl)benzohydrazonoyl chloride 
• 106-49-0 p-toluidine 
• 622-59-3 1-isothiocyanato-4-methylbenzene 
• 613-94-5 benzoic acid hydrazide 
• 825-56-9 2-phenyl-1,3,4-oxadiazole 
• 731-43-1 4-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-thione 
• 90959-32-3 C₂₁H₂₁N₃O₂S 

Downstream Products

• 28139-64-2 N-((tert-butylimino)methylene)-4-methylaniline 
• 16151-08-9 3-phenyl-4,5-dip-tolyl-4H-1,2,4-triazole 
• 388079-95-6 3-(4-bromophenyl)-5-phenyl-4-p-tolyl-4H-1,2,4-triazole 

Relevant articles and documents

Palladium(II) complexes of 1,2,4-triazole-based N-heterocyclic carbenes: Synthesis, structure, and catalytic activity

Six palladium(II) complexes bearing three different triazole-based N-heterocyclic carbene (NHC) ligands, [1-tert-butyl-4-{2-[(N,N-dimethylamino) methyl]phenyl}-3-phenyl-1H-1,2,4-triazol-4-ium-5-ide, 1-tert-butyl-4-(2- methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-4-ium-5-ide, and 1-tert-butyl-4-(4- methylphenyl)-3-phenyl-1H-1,2,4-triazol-4-ium-5-ide], were synthesized and fully characterized. NMR spectroscopy and X-ray diffraction analysis revealed that the amino-group-substituted NHC ligand is coordinated in bidentate fashion, forming a monocarbene chelate complex with an additional intramolecular Pd ← N bond with the nitrogen donor atom. The 4-methylphenyl- and 2-methoxyphenyl-substituted NHC ligands coordinate as C-monodentate donors, forming simple biscarbene Pd(II) complexes. The evaluation of the catalytic performance in the Suzuki-Miyaura cross-coupling reaction revealed very promising performance of the intramolecularly coordinated monocarbene complexes under relatively mild conditions even in direct comparison with the commercially available PEPPSI catalyst. In contrast, the biscarbene complexes proved inactive in this catalytic process. According to theoretical calculations (EDA and NOCV analysis), functionalization of the 1,2,4-triazole-based NHC with the 2-[(N,N-dimethylamino)methyl]phenyl group has a significant effect on the stability of the NHC-metal bond.

Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations

A series of new stable halogenated carbenes, 1-tert-butyl-3,4-diaryl-1,2,4-triazol-5-ylidenes, has been synthesized. According to quantum chemical calculations, 4-(2,3,4-trifluorophenyl)-substituted 1-tert-butyl-3,4-diaryl-1,2,4-triazol-5-ylidene is the l

Recyclization of 1,3,4-oxadiazoles and bis-1,3,4-oxadiazoles into 1,2,4-triazole derivatives. Synthesis of 5-unsubstituted 1,2,4-triazoles

Efficient methods have been developed for obtaining precursors of stable carbenes, viz. 5-unsubstituted 3,4-diaryl-1,2,4-triazoles and 3,3′- or 4,4′-bridge linked bis-1,2,4-triazoles, by the recyclization of 5-unsubstituted 1,3,4-oxadiazoles or p-phenylen