4512-00-9

Basic information

• Product Name: 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE
• Synonyms: 4-triazin-3(2h)-one,5,6-diphenyl-2;5,6-diphenyl-as-triazin-3(2h)-one;5,6-diphenyl-as-triazin-3-o;5,6-diphenyl-as-triazin-3-ol;ai3-15232;3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE;5,6-DIPHENYL-3-HYDROXY-1,2,4-TRIAZINE;5,6-DIPHENYL-1,2,4-TRIAZIN-3-OL
• CAS NO: 4512-00-9
• Molecular Formula: C₁₅H₁₁N₃O
• Molecular Weight: 249.27
• EINECS: 224-833-6
• Mol File: 4512-00-9.mol

Chemical Properties

• Melting Point: 224-225°C
• Boiling Point: 392.37°C (rough estimate)
• Flash Point: 241.9°C
• Appearance: /
• Density: 1.1469 (rough estimate)
• Vapor Pressure: 1.07E-09mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• CAS DataBase Reference: 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE(4512-00-9)
• EPA Substance Registry System: 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE(4512-00-9)

Safety Data

• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2811
• RTECS: XZ2852000
• HazardClass: IRRITANT
• Hazardous Substances Data: 4512-00-9(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE is used as a building block for the synthesis of organic compounds. Its unique structure and functional groups make it a valuable intermediate in the creation of a wide range of chemical products.
Used in Pharmaceutical Production:
In the pharmaceutical industry, 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE is utilized as a precursor for the production of various drugs. Its chemical properties allow it to be incorporated into the molecular structures of potential therapeutic agents, contributing to the development of new medications.
Used in Agrochemical Development:
3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE also serves as a precursor in the agrochemical sector, where it is used to develop compounds for crop protection and enhancement of agricultural productivity.
Used in Materials Science:
With its potential applications in materials science, 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE may be employed in the design and synthesis of new materials with specific properties, such as improved stability, reactivity, or selectivity.
Used as a Research Tool:
In chemical and biological studies, 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE functions as a research tool, aiding scientists in understanding the fundamental principles of chemical reactions and biological processes. Its unique structure and properties make it a valuable asset in advancing scientific knowledge.
The specific properties and applications of 3-HYDROXY-5,6-DIPHENYL-1,2,4-TRIAZINE can vary depending on its chemical structure and purity, highlighting the importance of precise synthesis and characterization in its utilization across different fields.

InChI:InChI=1/C15H11N3O/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H,16,18,19)

Upstream product

• 34177-11-2 3-chloro-5,6-diphenyl-1,2,4-triazine 
• 134-81-6 benzil 
• 4426-72-6 hydrazine carboxamide 
• 3540-90-7 Benzilsemicarbazone 
• 31283-03-1 6-methoxy-1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine 
• 84346-96-3 3-dichloromethyl-5,6-diphenyl-as-triazine 
• 84346-95-2 3-trichloromethyl-5,6-diphenyl-as-triazine 
• 3540-90-7 benzil mono-semicarbazone 
• 563-41-7 semicarbazide hydrochloride 
• 108306-13-4 5,6-diphenyl-tetrahydro-[1,2,4]triazin-3-one 
• 7478-16-2 3-methoxy-5,6-diphenyl-[1,2,4]triazine 
• 37469-24-2 5,6-diphenyl-4H-[1,2,4] triazine-3-thione 
• 24108-37-0 3-methyl-5,6-diphenyl-1,2,4-triazine 
• 69466-94-0 5,6-diphenyl-3-p-tolyloxy-[1,2,4]triazine 

Downstream Products

• 18510-97-9 2-methyl-5,6-diphenyl-1,2,4-triazin-3(2H)-one 
• 21134-91-8 5,6-diphenyl-1,2,4-triazine 
• 34177-11-2 3-chloro-5,6-diphenyl-1,2,4-triazine 
• 13163-00-3 4,5-dihydro-5,6-diphenyl-as-triazin-3-one 
• 27419-06-3 2-morpholin-4-ylmethyl-5,6-diphenyl-2H-[1,2,4]triazin-3-one 
• 135591-06-9 8-(3-Oxo-5,6-diphenyl-3H-[1,2,4]triazin-2-yl)-octanoic acid methyl ester 
• 135591-08-1 methyl <3-<2-(2,3-dihydro-3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)ethyl>phenoxy>acetate 
• 135591-07-0 8-(3-Oxo-5,6-diphenyl-3H-[1,2,4]triazin-2-yl)-octanoic acid 
• 135591-05-8 9-(3-Oxo-5,6-diphenyl-3H-[1,2,4]triazin-2-yl)-nonanoic acid 
• 135591-09-2 {3-[2-(3-Oxo-5,6-diphenyl-3H-[1,2,4]triazin-2-yl)-ethyl]-phenoxy}-acetic acid 
• 21383-24-4 (5,6-diphenyl-[1,2,4]triazin-3-yl)-hydrazine 
• 41249-72-3 5,6-diphenyl-3-(N'-phenyl-hydrazino)-[1,2,4]triazine 
• 857153-80-1 5,6-diphenyl-3-(2-piperidino-ethoxy)-[1,2,4]triazine 
• 856861-04-6 2,4-diacetyl-5,6-diphenyl-tetrahydro-[1,2,4]triazin-3-one 

Relevant articles and documents

Biphenyl-3-oxo-1,2,4-triazine linked piperazine derivatives as potential cholinesterase inhibitors with anti-oxidant property to improve the learning and memory

A series of novel piperazine tethered biphenyl-3-oxo-1,2,4-triazine derivatives were designed, and synthesized. Amongst the synthesized analogs, compound 6g showed significant non-competitive inhibitory potential against acetylcholinesterase (AChE, IC50; 0.2 ± 0.01 μM) compared to standard donepezil (AChE, IC50: 0.1 ± 0.002 μM). Compound 6g also exhibited significant displacement of propidium iodide from the peripheral anionic site (PAS) of AChE (22.22 ± 1.11%) and showed good CNS permeability in PAMPA-BBB assay (Pe (exp), 6.93 ± 0.46). The in vivo behavioral studies of compound 6g indicated significant improvement in cognitive dysfunctions against scopolamine-induced amnesia mouse models. Further, ex vivo studies showed a significant AChE inhibition and reversal of the scopolamine-induced oxidative stress by compound 6g. Moreover, molecular docking and dynamics simulations of compound 6g showed a consensual binding affinity and active site interactions with the PAS and active catalytic site (CAS) residues of AChE.

Oxidation of Thioamides to Amides with Tetrachloro- and Tetrabromoglycolurils

Tetrabromo- and tetrachloroglycolurils have been shown to act as good oxidants capable of converting thioamides to the corresponding amides. This approach offers such advantages as good yields (81–99%), short reaction times (10–25 min), simple workup procedure, and environmental safety.

Nano-sized silica supported FeCl3 as an efficient heterogeneous catalyst for the synthesis of 1,2,4-triazine derivatives

The one-pot synthesis of a series of 1,2,4-triazines from the reactions of semicarbazide or thiosemicarbazide with various α,β-dicarbonyl compounds under reflux conditions in a EtOH-H2O (9:1) mixture as solvent and catalyzed by nano-sized silica supported FeCl3 (FeCl3@SiO2) was investigated. The FeCl3 content of the catalyst was measured by atomic absorption to get the adsorption capacity. The reactions gave high yields of the product and the catalyst was easily separated and reused for successive reaction runs without significant loss of activity.

Synthesis of 1,2,4-triazine derivatives as potential anti-anxiety and anti-inflammatory agents

A series of 1,2,4-triazine derivatives Va (1-24) and Vb (1-24) were synthesized and evaluated for their anti-anxiety and anti-inflammatory activities. The structures of the synthesized compounds were confirmed on the basis of their spectral data. Many of the triazine compounds were found to possess good activity. Especially, compounds bearing the sulfur atom showed better activity than those bearing the oxygen atom.

Structures and chemical equilibria of some N-heterocycles containing amide linkages

Structures and chemical equilibria of 5-carboxy-2-thiouracil (1), 5,6-diphenyl-3-hydroxy-1,2,4-triazine (2), 1-phenyl-3-methyl-5-pyrazolone (3) and 2-mercapto-4,6-dimethylpyrimidine hydrochloride (4) are reported. Their electronic transitions are assigned and pK values are evaluated and discussed.

Selective access to new semicarbazones and thiosemicarbazones derived from benzil. Study of their conversion reactions

New Schiff bases from benzil with semicarbazide and thiosemicarbazide are reported. An open chain molecule, benzilbissemicarbazone 1 was prepared in presence of lithium hydroxide. A cycle 6-methoxy-1,6-diphenyl-4-thio- 3,4,5,6-tetrahydro-2,3,5-triazine 7 was obtained from thiosemicarbazide. A cyclic molecule, 1,6-diphenyl-4-oxo-3,4,5,6-tetrahydro-2,3,5-triazine 4 was produced from the recrystallization of 3 in chloroform. A new macrocyclic complex 8 was isolated from the open chain 6 in the presence of iron (III) chloride hexahydrated. Compounds 1, 2 convert into the cyclic 3 heated under reflux. In addition, we have got an iron complex 5 of 1 using the compound 2 as precursor. The crystal structure of 7 was obtained by single crystal X- Ray diffraction.

Metal-assisted Reactions: Part 19. Burst Kinetics in Heterogeneous Catalytic Transfer Hydrogenolysis

Arene formation by catalytic transfer hydrogenolysis of aryloxytetrazolyl ethers in the liquid-phase shows biphasic concentration-time curves which indicate rate-limiting dissociation of heterogeneous complexes between catalyst and one of the reaction products, a tetrazolone.A dependence of catalytic reaction rate on pH and following modifications made to the catalyst are reported also.

Uncondensed 1,2,4-Triazines: Part II - Mechanistic Pathway of Grignard Reaction on 1,2,4-Triazines

Phenylmagnesium bromide reacts with 3-chloro-5,6-diphenyl-1,2,4-triazine (I) to give eleven products (II-XI and an undefined product with m.p. 270 deg C).A suitable mechanism for their formation has been discussed.

STUDIES ON as-TRIAZINE DERIVATIVES. II. A RING-CLEAVAGE REACTION OF 3-TRICHLOROMETHYL-5,6-DIPHENYL-1,2,4-TRIAZINE AND RELATED COMPOUNDS.

3-Chloromethyl- (4), 3-dichloromethyl- (3), and 3-trichloromethyl-5,6-diphenyl-1,2,4-triazine (2) were synthesized from 3-methyl-5,6-diphenyl-1,2,4-triazine (1).The reaction of 4 with sodium ethoxide in ethanol simply afforded the corresponding 3-ethoxymethyl compound.In contrast to this reaction, when 2 and 3 were treated with sodium alkoxide, an unexpected ring-cleavage reaction occured instead of simple nucleophilic attack to chloromethylgroups.The structure of the products and the reaction mechanism are discussed.