3641-08-5

Basic information

• Product Name: 2H-1,2,4-Triazole-3-carboxamide
• Synonyms: 1H-[1,2,4]TRIAZOLE-3-CARBOXYLIC ACID AMIDE;1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE;1,2,4-TRIAZOLE-3-CARBOXAMIDE;2H-1,2,4-Triazole-3-carboxamide;VITAS-BB TBB000340;1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE 98.5%;1,2,4-TRIAZOLE-3-CARBOXYAMIDE;3-methylformamide-1,2,4-triazone
• CAS NO: 3641-08-5
• Molecular Formula: C₃H₄N₄O
• Molecular Weight: 112.09
• Mol File: 3641-08-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 315 °C
• Boiling Point: 393.4 °C at 760 mmHg
• Flash Point: 191.7 °C
• Appearance: /
• Density: 1.537 g/cm³
• Vapor Pressure: 2.14E-06mmHg at 25°C
• Refractive Index: 1.625
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Aqueous Base (Slightly), DMSO (Slightly)
• PKA: 8.50±0.20(Predicted)
• CAS DataBase Reference: 2H-1,2,4-Triazole-3-carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-1,2,4-Triazole-3-carboxamide(3641-08-5)
• EPA Substance Registry System: 2H-1,2,4-Triazole-3-carboxamide(3641-08-5)

Safety Data

• Hazardous Substances Data: 3641-08-5(Hazardous Substances Data)

Usage

Uses

N-Des-1-β-D-ribofuranosyl Ribavirin (Ribavirin EP Impurity D) is an impurity in the synthesis of Ribavirin (R414475), a purine nucleoside analog; inhibits inosine monophosphate dehydrogenase (IMPDH). Used as an antiviral agent.This compound is suitable for pyruvate dehydrogenase (PDH) related research.

InChI:InChI=1/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7)

Upstream product

• 4928-88-5 methyl 1H-1,2,4-triazole-3-carboxylate 
• 36791-04-5 ribavirin 
• 515-96-8 oxalamic acid hydrazide 
• 16694-46-5 ethyl formimidate hydrochloride 

Downstream Products

• 578-76-7 7-methylguanine 
• 36791-04-5 ribavirin 
• 40372-11-0 1-(β-D-Arabinofuranosyl)-<1,2,4>triazol-3-carboxamid 
• 4928-88-5 methyl 1H-1,2,4-triazole-3-carboxylate 
• 40372-06-3 1-(2'-deoxy-β-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide 
• 66-22-8 uracil 
• 3641-10-9 1H-1,2,4-triazole-3-carbonitrile 
• 1006-08-2 7-methyl-1,7-dihydro-purin-6-one 

Relevant articles and documents

Synthesis of nucleotide analogues by a promiscuous phosphoribosyltransferase

An Escherichia coli strain overexpressing a mutant variant of a phosphoribosyl transferase was developed as a catalyst for the efficient preparation of a range of purine nucleotide analogues. This system offers an efficient and rapid method for nucleotide analogue synthesis with 100% β-selectivity, providing analytically pure product in a single purification step.

Synthesis process of ribavirin intermediate and the intermediate

The invention discloses a synthesis process of a ribavirin intermediate and the intermediate. 2-hydrazinyl-2-oxoacetate is used as a raw material, and the ribavirin intermediate 1,2,4-triazole-3-formamide is obtained by condensation with orthoformate triester, ammonolysis and cyclization in sequence. According to the process, the 2-hydrazinyl-2-oxoacetate is adopted as the initial raw material, the raw material is easily available and cheap, the synthesis route is short, expensive raw materials such as hypophosphorous acid are not adopted, dangerous raw materials such as hydrogen peroxide arenot used, a diazotization reaction which is a dangerous process is not adopted, reaction condition is mild, the whole process is almost free of generation of wastewater and solid waste; and the process is green, simple to operate and high in yield.

Method for preparing 1,2,4-triazole-3-formamide by one-pot method

The invention belongs to the field of the preparation of a key intermediate for synthesizing an antiviral drug ribavirin, and discloses a method for preparing 1,2,4-triazole-3-formamide by a one-pot method. The method comprises the following steps: performing a condensation reaction on oxamide and N,N-dimethylacetal, and under the action of a catalyst, enabling a product of the condensation reaction to perform a cyclization reaction with hydrazine or hydrazonium salt, and synthesizing the 1,2,4-triazole-3-formamide. The method is easy to obtain raw materials, short in synthetic route, convenient and simple in post-processing, non-polluted in reaction, less in three waste amount, and suitable for industrial production.