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1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

453556-96-2

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453556-96-2 Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 17 carbon (C) atoms, 9 hydrogen (H) atoms, and 7 nitrogen (N) atoms.

Explanation

This describes the arrangement of atoms and the type of chemical bonds within the molecule. The compound is a triazine derivative with a carbonitrile group, a phenyl group, and a pyridinyl group attached to specific positions in the triazine ring.

Explanation

The compound belongs to a class of chemical compounds called triazines, which are six-membered heterocyclic compounds containing four carbon atoms and two nitrogen atoms.

Explanation

A carbonitrile group is a functional group consisting of a carbon atom triple-bonded to a nitrogen atom (C≡N). In 1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-, the carbonitrile group is attached to the 5th position of the triazine ring.

Explanation

A phenyl group is an aromatic ring consisting of six carbon atoms with alternating single and double bonds (C6H5). In 1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-, the phenyl group is attached to the 6th position of the triazine ring.

Explanation

A pyridinyl group is a heterocyclic aromatic ring consisting of five carbon atoms and one nitrogen atom (C5H4N). In 1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-, the pyridinyl group is attached to the 3rd position of the triazine ring.

Explanation

The compound has been investigated for its possible biological activities, which could include interactions with biological molecules or cellular processes.

Explanation

Due to its potential biological properties, the compound may be relevant for the development of new drugs or therapeutic agents.

Explanation

The compound's potential biological properties and pharmacological activities make it a candidate for further research and development in the pharmaceutical industry.

Explanation

The compound could have multiple effects on biological systems, which may be explored for therapeutic purposes. Further research is needed to fully understand its properties and potential uses.

Chemical Structure

1,2,4-Triazine-5-carbonitrile, 6-phenyl-3-(2-pyridinyl)-

Type of Compound

Triazine derivative

Carbonitrile Group

CN

Phenyl Substituent

C6H5

Pyridinyl Substituent

C5H4N

Potential Biological Properties

Studied for its potential biological properties

Interest in Medicinal Chemistry

Of interest in the field of medicinal chemistry

Applications in Pharmaceutical Development

May have applications in the development of pharmaceuticals

Pharmacological Activities

May exhibit various pharmacological activities

Check Digit Verification of cas no

The CAS Registry Mumber 453556-96-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,5,3,5,5 and 6 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 453556-96:
(8*4)+(7*5)+(6*3)+(5*5)+(4*5)+(3*6)+(2*9)+(1*6)=172
172 % 10 = 2
So 453556-96-2 is a valid CAS Registry Number.

453556-96-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-phenyl-3-pyridin-2-yl-1,2,4-triazine-5-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-cyano-1,2,4-triazine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:453556-96-2 SDS

453556-96-2Relevant academic research and scientific papers

Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process

Kopchuk, Dmitry S.,Nikonov, Igor L.,Khasanov, Albert F.,Giri, Kousik,Santra, Sougata,Kovalev, Igor S.,Nosova, Emiliya V.,Gundala, Sravya,Venkatapuram, Padmavathi,Zyryanov, Grigory V.,Majee, Adinath,Chupakhin, Oleg N.

, p. 5119 - 5135 (2018)

The interactions between substituted 5-R-3-(pyridyl-2)-1,2,4-triazines with in situ generated substituted aryne intermediates have been studied. The reaction afforded either inverse demand (ID) aza-Diels-Alder products or 1,2,4-triazine ring rearrangement (domino) products as major ones depending on the nature of both the substituents at the C5 position of the 1,2,4-triazine core or in the aryne moiety. The structures of the key products were confirmed based on X-ray data. Based on the density functional theoretical (DFT) studies of the Diels-Alder transition state geometries, the influence of the nature of arynes on the direction of the 1,2,4-triazine transformation has been proposed.

5-Acylmethyl-3-(2-pyridyl)-1,2,4-triazines: Synthesis and complexes with Cu(II)

Prokhorov,Kozhevnikov,Rusinov,Matern,Nikitin,Chupakhin,Eremenko,Aleksandrov

, p. 1702 - 1705 (2005)

5-Acylmethyl-3-(2-pyridyl)-1,2,4-triazines are easily prepared from accessible 3-(2-pyridyl)-1,2,4-triazine 4-oxides by reaction of the latter with acetophenone or trifluoroacetone in the presence of NaH. The compounds obtained behaved as efficient ligand

An Efficient Cyanide-Free Approach towards 1-(2-Pyridyl)isoquinoline-3-carbonitriles via the Reaction of 5-Phenacyl-1,2,4-triazines with 1,2-Dehydrobenzene in the Presence of Alkyl Nitrites

Kopchuk, Dmitry S.,Krinochkin, Alexey P.,Khasanov, Albert F.,Kovalev, Igor S.,Slepukhin, Pavel A.,Starnovskaya, Ekaterina S.,Mukherjee, Anindita,Rahman, Matiur,Zyryanov, Grigory V.,Majee, Adinath,Rusinov, Vladimir L.,Chupakhin, Oleg N.,Santra, Sougata

, p. 483 - 488 (2018)

A cyanide-free method for the preparation of 1-(2-pyridyl)isoquinoline-3-carbonitriles (3-cyanoisoquinolines) was developed. The interaction of 5-phenacyl-3-(2-pyridyl)-1,2,4-triazines with 1,2-dehydrobenzene generated in situ from anthranilic acid and an

Luminescent neutral lanthanide complexes of 5-aryl-2,2′-bipyridine-6-carboxylic acids, synthesis and properties

Krinochkin, Alexey P.,Kopchuk, Dmitry S.,Kozhevnikov, Dmitry N.

, p. 556 - 561 (2015/11/17)

Luminescent lanthanide complexes of 4-aryl-1-(2-pyridyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxylic acids and 5-tolyl-2,2′-bipyridine-6-carboxylic acid were prepared. The ligands were synthesized using the "1,2,4-triazine" methodology. In one case, the opportunity of copper complex preparation, followed by exchange of the metal cation from copper to europium to overcome synthetic difficulties, was demonstrated. The ability of tuning the properties of the complexes by means of varying the structure of the ligands was demonstrated. In particular, the introduction of the cyclopentene moiety allowed the preparation of highly soluble complexes in non-polar organic solvents.

A versatile strategy for the synthesis of functionalized 2,2′-bi- and 2,2′:6′,2′-terpyridines via their 1,2,4-triazine analogues

Kozhevnikov, Valery N.,Kozhevnikov, Dmitry N.,Nikitina, Tatiana V.,Rusinov, Vladimir L.,Chupakhin, Oleg N.,Zabel, Manfred,Koenig, Burkhard

, p. 2882 - 2888 (2007/10/03)

A general synthetic route for the synthesis of functionalized bi- and terpyridines is reported. Functionalized 1,2,4-triazene 4-oxides 7 and 8 - obtained from the reaction of hydrazones 1 with pyridine aldehydes and followed by oxidation - are functionalized by introduction of a cyano group via nucleophilic aromatic substitution. The thus-obtained 5-cyano-1,2,4-triazines 9 and 10 undergo facile inverse-electron-demand Diels-Alder reactions with enamines and alkenes to yield functionalized bi- and terpyridines, respectively. The substituent at position 6 of the 1,2,4-triazene 4-oxides must be aromatic or heteroaromatic in order to allow their facile synthesis, but other substituents and reagents may vary. Each step of the synthetic route allows diversification, which makes the approach particularly useful for the facile synthesis of a large variety of functionalized bi- and terpyridines.

Synthesis of functionalised bipyridines by sequential nucleophilic substitution of hydrogen and cycloaddition in 1,2,4-triazine rings

Kozhevnikov, Dmitry N.,Kozhevnikov, Valery N.,Nikitina, Tatiana V.,Rusinov, Vladimir L.,Chupakhin, Oleg N.,Neunhoeffer, Hans

, p. 30 - 32 (2007/10/03)

A new methodology for the synthesis of functionalised bipyridines by the direct cyanation of 3-(2-pyridyl)-1,2,4-triazine 4-oxide through nucleophilic substitution for hydrogen followed by the transformation of the 1,2,4-triazine ring into the pyridine ring by the Diels-Alder reaction and, finally, the chemical conversion of the cyano group is described.

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