36770-53-3

Basic information

• Product Name: Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide
• Synonyms: Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide;CAS:36770-53-3;4-[5-(1-oxido-4-pyridinyl)-1H-1,2,4-triazol-3-yl]Pyridine;Topiroxostat impurity H
• CAS NO: 36770-53-3
• Molecular Formula: C₁₂H₉N₅O
• Molecular Weight: 239.23276
• Mol File: 36770-53-3.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide(36770-53-3)
• EPA Substance Registry System: Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide(36770-53-3)

Safety Data

• Hazardous Substances Data: 36770-53-3(Hazardous Substances Data)

Usage

Description

Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide is a complex chemical compound characterized by the presence of a pyridine ring and a 1,2,4-triazole ring, both of which are heterocyclic aromatic structures. The 1-oxide group signifies that the compound is in an oxidized state. Its unique molecular structure and properties suggest potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science. Further research is required to explore its full potential and effects.

Uses

Used in Pharmaceutical Industry:
Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide is used as a pharmaceutical compound for its potential therapeutic properties. Its unique structure may allow it to interact with biological targets, such as enzymes or receptors, and modulate their activity. This could lead to the development of new drugs for the treatment of various diseases.
Used in Agrochemical Industry:
In the agrochemical industry, Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide may be utilized as a pesticide or herbicide. Its chemical structure could enable it to target specific pests or weeds, providing an effective and selective method for crop protection.
Used in Materials Science:
Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide may also find applications in materials science. Its heterocyclic aromatic rings and oxidized state could contribute to the development of new materials with unique properties, such as conductivity, magnetism, or catalytic activity. These materials could be used in various applications, including sensors, energy storage, or catalysis.

Upstream product

• 14906-59-3 4-cyanopyridine N-oxide 
• 54-85-3 isoniazid 
• 3783-38-8 methyl isonicotinate N-oxide 
• 100-48-1 pyridine-4-carbonitrile 
• 6975-73-1 1-oxide pyridine-4-carbohydrazide 

Downstream Products

• 837371-70-7 N-benzyloxymethyl-5-(2-cyano-pyridin-4-yl)-3-(pyridin-4-yl)-1,2,4-triazole 
• 577778-88-2 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile p-toluenesulfonate 

Relevant articles and documents

Intermediate for topipitastat, preparation method thereof, and method for preparing topipitastat from intermediate

The invention belongs to the technical field of medicines, and particularly relates to an intermediate for topipitastat, a preparation method thereof, and a method for preparing topipitastat from theintermediate. The intermediate for the topipitastat is 3-(4-pyridyl)-5-(1-oxo-4-pyridyl)-1,2,4-triazole p-toluenesulfonate, and the structural formula of the intermediate is represented by formula (I). The preparation methods are characterized in that methyl isonicotinate oxynitride and hydrazine hydrate undergo a condensation reaction, a ring closing reaction and a salt formation reaction to obtain the intermediate, and the intermediate and N,N-dimethylformyl chloride undergo a cyanation reaction and a refining reaction to obtain the topipitastat. The methods effectively solve the technical problems of complex preparation process and low purity of topiroxostat, and have the advantages of simple process, good reproducibility, low cost, environmental protection and energy saving, so the methods have high industrial values and remarkable social and economic benefits. The preparation methods are used for preparing the key intermediate for the topiroxostat and the topiroxostat.

A method for preparing holds a department he

The invention relates to a preparation method of topiroxostat, which comprises the following steps: reacting an initial raw material compound isoniazide disclosed as Formula (6) with a compound 4-cyano-pyridyl-N-oxide disclosed as Formula (5) to generate a triazole compound disclosed as Formula (4), reacting the triazole compound disclosed as Formula (4) in the presence of a copper catalyst (CuX), zinc cyanide (Zn(CN)2) and dimethylamino formyl chloride to generate a cyanotriazole compound disclosed as Formula (3), reacting the compound disclosed as Formula (3) in the presence of p-toluenesulfonic acid to generate a compound disclosed as Formula (2), and finally, alkalifying with inorganic alkali to obtain the target compound disclosed as Formula (1) (topiroxostat). The method is simple in operation and after-treatment, and greatly lowers the consumption of the zinc cyanide due to the use of the copper catalyst, so that the reaction conditions are milder, and the purity of the prepared product is high; and the method is suitable for industrial production.

PROCESS FOR PRODUCING 1,2,4-TRIAZOLE COMPOUND AND INTERMEDIATE THEREFOR

Provided is a process for producing 1,2,4-triazole compound (5), or a salt or hydrate thereof which comprises reacting compound (1) with Rc-X (2) to give compound (3), reacting compound (3) with a nitrilization agent to give compound (4), and then removing the group Rc, as shown by the reaction scheme: (Wherein Ra, Rb and Rd represent a group, Rc represents a group which can be removed by an acid) A 1,2,4-triazole compound (5) having an optionally substituted 2-cyanopyridin-4-yl group at 3-position and an optionally substituted aromatic group at 5-position which inhibits a xanthine oxidase and is useful for treatment of gout and hyperuricemia can be obtained from compound (1) in a high yield without requiring isolation of reaction products in the course of reactions.