29982-79-4

Basic information

• Product Name: benzyl 1H-1,2,4-triazol-3-yl sulfone
• Synonyms: benzyl 1H-1,2,4-triazol-3-yl sulfone
• CAS NO: 29982-79-4
• Molecular Formula: C₉H₉N₃O₂S
• Molecular Weight: 223.25166
• Mol File: 29982-79-4.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: benzyl 1H-1,2,4-triazol-3-yl sulfone(CAS DataBase Reference)
• NIST Chemistry Reference: benzyl 1H-1,2,4-triazol-3-yl sulfone(29982-79-4)
• EPA Substance Registry System: benzyl 1H-1,2,4-triazol-3-yl sulfone(29982-79-4)

Safety Data

• Hazardous Substances Data: 29982-79-4(Hazardous Substances Data)

Upstream product

• 100-44-7 benzyl chloride 
• 29982-78-3 5-Phenylmethanesulfinyl-1H-[1,2,4]triazole 
• 21239-87-2 5-Benzylsulfanyl-1H-[1,2,4]triazole 

Relevant articles and documents

A Unified Approach to Systematic Isoesteric Substitution for Acidic Groups and Application to NMDA Antagonists Related to 2-Amino-7-phosphonoheptanoate

A systematic approach to the replacement of acidic groups with potential bioisoesteres is described.The strategy involves simple nucleophilic displacement of a common alkyl halide precursor with a variety of mercaptoazoles and related molecules.The mercaptoazoles and their oxidized derivatives (sulfinyl- and sulfonylazoles) represent a series of possible surrogates for acidic groups which span a pKa range from about 4.5-11.5.This simple strategy was extended to include 2-hydroxy- or 2-aminothiophenyl groups which function as relatively nonacidic isoesteres for a phosphonic acid.By replacing the phosphonic acid of 2-amino-7-phosphonoheptanoate (AP-7) with these groups, we have synthesized novel N-methyl-d-aspartate (NMDA) antagonists.