50737-29-6

Basic information

• Product Name: 5-(CHLOROMETHYL)-3-(4-METHYLPHENYL)-1,2,4-OXADIAZOLE
• Synonyms: 5-CHLOROMETHYL-3-P-TOLYL-[1,2,4]OXADIAZOLE;5-(CHLOROMETHYL)-3-(4-METHYLPHENYL)-1,2,4-OXADIAZOLE;AKOS BB-7026;CHEMBRDG-BB 4010302;1,2,4-Oxadiazole, 5-(chloromethyl)-3-(4-methylphenyl)-;5-(chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole(SALTDATA: FREE)
• CAS NO: 50737-29-6
• Molecular Formula: C₁₀H₉ClN₂O
• Molecular Weight: 208.64
• Mol File: 50737-29-6.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 327.8 °C at 760 mmHg
• Flash Point: 152 °C
• Appearance: /
• Density: 1.242 g/cm³
• Vapor Pressure: 0.000378mmHg at 25°C
• Refractive Index: 1.555
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 5-(CHLOROMETHYL)-3-(4-METHYLPHENYL)-1,2,4-OXADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(CHLOROMETHYL)-3-(4-METHYLPHENYL)-1,2,4-OXADIAZOLE(50737-29-6)
• EPA Substance Registry System: 5-(CHLOROMETHYL)-3-(4-METHYLPHENYL)-1,2,4-OXADIAZOLE(50737-29-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 50737-29-6(Hazardous Substances Data)

Usage

General Description

5-(Chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is a chemical compound with the molecular formula C10H8ClN3O. It belongs to the oxadiazole family, which is known for its diverse range of biological activities. This particular compound has a chloromethyl group and a 4-methylphenyl group attached to the oxadiazole ring. It is potentially useful in pharmaceutical and agricultural applications due to its ability to act as a building block for the synthesis of various bioactive compounds. Additionally, it may exhibit antimicrobial, anti-inflammatory, and antitumor properties, making it a compound of interest in drug discovery and development. However, further research is needed to fully understand its potential uses and effects.

InChI:InChI=1/C10H9ClN2O/c1-7-2-4-8(5-3-7)10-12-9(6-11)14-13-10/h2-5H,6H2,1H3

Upstream product

• 19227-13-5 (Z)-N'-hydroxy-4-methylbenzimidamide 
• 79-04-9 chloroacetyl chloride 
• 19227-13-5 p-toluamidoxime 
• 104-85-8 para-methylbenzonitrile 
• 19227-13-5 N'-hydroxy-4-methyl-benzamidine 
• 93335-40-1 (Z)-N'-(2-chloroacetoxy)-4-methylbenzimidamide 

Downstream Products

• 1119433-31-6 3-phenyl-5-{(3-p-tolyl-1,2,4-oxadiazol-5-yl)methylthio}-1,3,4-thiadiazole-2(3H)-thione 
• 865571-13-7 C₂₃H₁₇ClN₆OS 
• 1257542-54-3 C₂₄H₂₀N₆O₃ 
• 1257542-92-9 C₂₃H₁₇ClN₆OS 
• 1247705-79-8 5-(azidomethyl)-3-p-tolyl-1,2,4-oxadiazole 

Relevant articles and documents

Synthesis of Some Azamacrocycles Bearing 1,2,4-Oxadiazole and 1,2,3-Triazole Moieties

Abstract: A tetraazacrown ether,4,9-di(prop-2-yn-1-yl)-1,4,9,12-tetraazacyclohexadecane-2,11-dione, bearingpropargyl groups on two nitrogens was synthesized starting from1,4,9,12-tetraazacyclohexadecane-2,11-dione and subjected to 1,3-cycloadditionreactio

Design, synthesis, pharmacological evaluation, and docking study of new acridone-based 1,2,4-oxadiazoles as potential anticonvulsant agents

A number of acridone-based oxadiazoles 11a–n have been synthesized and evaluated for their anticonvulsant activity against pentylenetetrazole (PTZ)- and maximal electroshock (MES)-induced seizures in mice. Also, their neurotoxicity was evaluated by the rotarod test. Most of the compounds exhibited better anticonvulsant activity and higher safety respect to the standard drug, phenobarbital. Among the tested derivatives, compounds 11l with ED50value of 2.08?mg/kg was the most potent compound in the PTZ test. The anticonvulsant effect of compound 11l was blocked by flumazenil, suggesting the involvement of benzodiazepine (BZD) receptors in the anticonvulsant activity of prototype compound 11l. Also, docking study of compound 11l in the BZD-binding site of GABAAreceptor confirms possible binding of compound 11l with BZD receptors.

Design, synthesis, biological evaluation, and docking study of acetylcholinesterase inhibitors: New acridone-1,2,4-oxadiazole-1,2,3-triazole hybrids

In this study, novel acridone-1,2,4-oxadiazole-1,2,3-triazole hybrids were designed, synthesized, and evaluated for their acetylcholinesterase and butyrylcholinesterase inhibitory activity. Among various synthesized compounds, 10-((1-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-1H-1,2,3-triazol-4-yl)methyl)acridin-9(10H)-one 10b showed the most potent anti-acetylcholinesterase activity (IC50 = 11.55 μm) being as potent as rivastigmine. Also docking outcomes were in good agreement with in vitro results confirming the dual binding inhibitory activity of compound 10b. A novel series of acridone-1,2,4-oxadiazole-1,2,3-triazole hybrids were synthesized and evaluated in vitro for their acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitory activities.