115201-42-8

Basic information

• Product Name: 1-(4-METHOXYBENZYL)-1,2,4-TRIAZOLE
• Synonyms: 1-(4-METHOXYBENZYL)-1,2,4-TRIAZOLE;1-(4-Methoxybenzyl)-1,2,4-Triazole(WX690118)
• CAS NO: 115201-42-8
• Molecular Formula: C₁₀H₁₁N₃O
• Molecular Weight: 189.21
• Mol File: 115201-42-8.mol
• Article Data: 8

Chemical Properties

• Melting Point: 41.5 °C
• Boiling Point: 363.7 °C at 760 mmHg
• Flash Point: 173.8 °C
• Appearance: /
• Density: 1.165 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.59
• Storage Temp.: 2-8°C
• PKA: 2.73±0.10(Predicted)
• CAS DataBase Reference: 1-(4-METHOXYBENZYL)-1,2,4-TRIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-METHOXYBENZYL)-1,2,4-TRIAZOLE(115201-42-8)
• EPA Substance Registry System: 1-(4-METHOXYBENZYL)-1,2,4-TRIAZOLE(115201-42-8)

Safety Data

• Hazardous Substances Data: 115201-42-8(Hazardous Substances Data)

Usage

General Description

1-(4-METHOXYBENZYL)-1,2,4-TRIAZOLE is a chemical compound containing elements like carbon, hydrogen, nitrogen, and oxygen. It belongs to the class of organic compounds known as benzyl triazoles. These are organoheterocyclic compounds that contain a benzyl group attached to a 1,2,4-triazole moiety. The function of a benzyl substituent like '4-methyoxybenzyl' is that it modifies the characteristics of the molecule, often influencing its reactivity or function. These compounds are used in various fields including but not limited to pharmaceuticals, agrochemicals, and dyes. They are also used as building blocks in the synthesis of more complex organic molecules. The compound's properties like boiling point, melting point, and toxicity may vary based on its specific structure and other substituents present.

InChI:InChI=1/C10H11N3O/c1-14-10-4-2-9(3-5-10)6-13-8-11-7-12-13/h2-5,7-8H,6H2,1H3

Upstream product

• 288-88-0 1,2,4-Triazole 
• 824-94-2 p-methoxybenzyl chloride 
• 41253-21-8 sodium triazole 
• 2746-25-0 p-Methoxybenzyl bromide 
• 1779-49-3 Methyltriphenylphosphonium bromide 

Downstream Products

• 861162-27-8 2-ethyl-1-[1-(4-methoxybenzyl)-1H-1,2,4-triazol-5-yl]butan-1-ol 
• 199014-20-5 6-amino-2-<2-(4-methoxybenzyl)-2H-<1,2,4>triazol-3-ylmethyl>-1,2,3,4-tetrahydro-isoquinoline 
• 199014-17-0 2-<2-(4-methoxybenzyl)-2H-<1,2,4>triazol-3-ylmethyl>-6-nitro-1,2,3,4-tetrahydro-isoquinoline 
• 199014-15-8 5-(phthalimidomethyl)-1-(4-methoxybenzyl)-1,2,4-triazole 
• 199014-16-9 5-(aminomethyl)-1-(4-methoxybenzyl)-1,2,4-triazole 
• 199014-14-7 5-(hydroxymethyl)-1-(4-methoxybenzyl)-1,2,4-triazole 

Relevant articles and documents

Liquid ammonia as a dipolar aprotic solvent for aliphatic nucleophilic substitution reactions

The rate constants for the reactions of a variety of nucleophiles reacting with substituted benzyl chlorides in liquid ammonia (LNH3) have been determined. To fully interpret the associated linear free-energy relationships, the ionization constants of phenols ions in liquid ammonia were obtained using UV spectra. These equilibrium constants are the product of those for ion-pair formation and dissociation to the free ions, which can be separated by evaluating the effect of added ammonium ions. There is a linear relationship between the pKa of phenols in liquid ammonia and those in water of slope 1.68. Aminium ions exist in their unprotonated free base form in liquid ammonia and their ionization constants could not be determined by NMR. The rates of solvolysis of substituted benzyl chlorides in liquid ammonia at 25 °C show a Hammett ρ of zero, having little or no dependence upon ring substituents, which is in stark contrast with the hydrolysis rates of substituted benzyl halides in water, which vary 107 fold. The rate of substitution of benzyl chloride by substituted phenoxide ions is first order in the concentration of the nucleophile indicative of a SN2 process, and the dependence of the rate constants on the pKa of the phenol in liquid ammonia generates a Bronsted βnuc = 0.40. Contrary to the solvolysis reaction, the reaction of phenoxide ion with 4-substituted benzyl chlorides gives a Hammett ρ = 1.1, excluding the 4-methoxy derivative, which shows the normal positive deviation. The second order rate constants for the substitution of benzyl chlorides by neutral and anionic amines show a single Bronsted βnuc = 0.21 (based on the aqueous pKa of amine), but their dependence on the substituent in substituted benzyl chlorides varies with a Hammett ρ of 0 for neutral amines, similar to that seen for solvolysis, whereas that for amine anions is 0.93, similar to that seen for phenoxide ion.(Figure Presented)

Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole

Compounds useful for lowering beta amyloid levels are provided. The compounds have the structure of formula Ia: wherein, R1 is lower alkyl, substituted lower alkyl, phenyl, substituted phenyl, benzyl, substituted benzyl, benzyloxy, substituted benzyloxy, or SO2R5; R5 is phenyl, substituted phenyl, heterocycle, substituted heterocycle, alkyl, or substituted alkyl; R2 is lower alkyl, substituted lower alkyl, CF3, alkenyl, substituted alkenyl, alkynyl, substituted alkynyl, phenyl, substituted phenyl, or cycloalkyl; R3 is hydrogen, lower alkyl, or substituted lower alkyl; R4 is phenyl, substituted phenyl, heterocycle, substituted heterocycle, thiophene, or substituted thiophene; R6 is hydrogen, lower alkyl, substituted lower alkyl, CF3, alkenyl, substituted alkenyl, alkynyl, substituted alkynyl, phenyl, substituted phenyl, cycloalkyl, or substituted cycloalkyl; W, X and Y are independently CR7 or N; and R7 is hydrogen, halogen, lower alkyl, or substituted lower alkyl.

Process and intermediates for preparing 4'-trifluoromethylbiphenyl-2-carboxylic acid [2-(2H-[1,2,4]triazol-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-yl]-a mide

A process for preparing the compound of formula (1) is disclosed. STR1 The starting materials are an N-triazolylmethyl-6-aminoisoquinoline and a 4-biphenyl-2-carboxylic acid derivative.