24127-59-1

Basic information

• Product Name: (4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid Methyl ester
• Synonyms: (4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid Methyl ester;(1H-1,2,4-Triazol-3-ylthio)acetic acid methyl ester;Methyl 2-((1H-1,2,4-triazol-5-yl)thio)acetate;methyl 2-((4H-1,2,4-triazol-3-yl)thio)acetate
• CAS NO: 24127-59-1
• Molecular Formula: C₅H₇N₃O₂S
• Molecular Weight: 173.19298
• EINECS: -0
• Mol File: 24127-59-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: 119-121 °C(Solv: hexane (110-54-3); benzene (71-43-2))
• Boiling Point: 344.3±44.0 °C(Predicted)
• Appearance: /
• Density: 1.41±0.1 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 8.62±0.20(Predicted)
• CAS DataBase Reference: (4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid Methyl ester(24127-59-1)
• EPA Substance Registry System: (4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid Methyl ester(24127-59-1)

Safety Data

• Hazardous Substances Data: 24127-59-1(Hazardous Substances Data)

Usage

General Description

(4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid Methyl ester is a chemical compound with the molecular formula C6H8N4O2S. It is an ester of (4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid, which is a derivative of the triazole compound. This chemical has potential applications in pharmaceutical and agricultural industries due to its biological activities. It can act as a potential inhibitor or activator of various enzymes, receptors, or biological pathways. Additionally, it may have antimicrobial or antifungal properties, making it useful for the development of new drugs or agrochemicals. Further research and studies are needed to fully understand the potential uses and effects of this compound.

Upstream product

• 39751-89-8 potassium 5-mercapto-1,3,4-triazole 
• 96-32-2 bromoacetic acid methyl ester 
• 3179-31-5 1H-[1,2,4]triazole-3-thiol 
• 3179-31-5 1H-1,2,4-triazole-5-thiol 
• 3179-31-5 3-mercapto-1,2,4-triazole 

Downstream Products

• 1241892-47-6 [1-(4-chlorophenylcarbamoyl)-1H-1,2,4-triazol-3-ylsulfanyl]acetic acid methyl ester 
• 898637-64-4 (1-phenylcarbamoyl-1H-1,2,4-triazol-3-ylsulfanyl)acetic acid methyl ester 
• 898637-62-2 [1-(4-chlorobenzenesulfonyl)-1H-1,2,4-triazol-3-ylsulfanyl]acetic acid methyl ester 
• 898637-61-1 (1-benzenesulfonyl-1H-1,2,4-triazol-3-ylsulfanyl)acetic acid methyl ester 
• 898637-60-0 [1-(toluene-4-sulfonyl)-1H-1,2,4-triazol-3-ylsulfanyl]acetic acid methyl ester 
• 1533519-85-5 2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester 
• 24127-58-0 (2H-[1,2,4]-triazol-3-ylsulfanyl)-acetic acid 

Relevant articles and documents

Hydrophobicity and structure of 1,2,4-triazole derivatives bearing 1-carbamoyl and 3-sulfonyl groups

Various 3-sulfonyl-1,2,4-triazole-1-carboxamides (5a-h) were synthesized and their hydrophobicities were evaluated from their retention time in reversed-phase HPLC chromatography. Although the compounds have rather complex structures, a good linear relationship was observed between log k′ of these compounds derived from the retention time of HPLC and log PH for water-hexadecane partition coefficients of related alcohols. In regards with the rotation about the O2S-C(ester part) single bond, the preference for a gauche conformer relative to the anti form was revealed by both X-ray structural analysis of 5a and calculations at the AM1 level. In this conformation, substituents are arrayed to have the largest separation between the hydrophilic and hydrophobic parts. This can be rationalized as the primary reason for the good linearity.

Method for preparing Lesinurad intermediate

The invention belongs to the technical field of chemical synthesis, and particularly relates to a new method for preparing a lesinurad intermediate methyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetate. The method comprises the following steps: (1) using 4-methyl-4H-3-thiol-1,2,4-triazole as the starting raw material to react with methyl bromoacetate or ethyl chloroacetate or phenyl bromoacetate under the action of the deacid reagent to generate methyl (4- methyl-4H-1,2,4-triazol-3-thio)acetate; subjecting the methyl (4- methyl-4H-1,2,4-triazol-3-thio)acetate to N-demethylase to generate methyl (4H-1,2,4-triazole-3-thio)acetate; (3) reacting the methyl (4H-1,2,4-triazole-3-thio)acetate with 1-bromo-4-cyclopropyl-naphthalene or 1-chloro-4-cyclopropyl-naphthalene to form the intermediate methyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetate. The raw materials do not contain local toxic substances, and the production environment is relatively safe. The obtained product is high in yield and high in purity.

Rationally designed 'dipeptoid' analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988

This paper outlines the synthesis of selected acid mimics of the non- peptide CCK-B selective antagonist CI-988, 1 CCK-B and CCK-A binding affinities of these analogues are described and their CCK-B affinity and selectivity rationalized by consideration o