175205-61-5

Basic information

• Product Name: 3-(CHLOROMETHYL)-5-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE
• Synonyms: 3-(CHLOROMETHYL)-5-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE;1,2,4-Oxadiazole, 3-(chloroMethyl)-5-(2-Methoxyphenyl)-;2-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]anisole, 1-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]-2-methoxybenzene
• CAS NO: 175205-61-5
• Molecular Formula: C₁₀H₉ClN₂O₂
• Molecular Weight: 224.64
• Mol File: 175205-61-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 65-67°C
• Boiling Point: 365.2 °C at 760 mmHg
• Flash Point: 174.7 °C
• Appearance: /
• Density: 1.278g/cm³
• Vapor Pressure: 3.36E-05mmHg at 25°C
• Refractive Index: 1.547
• PKA: -2.74±0.44(Predicted)
• CAS DataBase Reference: 3-(CHLOROMETHYL)-5-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(CHLOROMETHYL)-5-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE(175205-61-5)
• EPA Substance Registry System: 3-(CHLOROMETHYL)-5-(2-METHOXYPHENYL)-1,2,4-OXADIAZOLE(175205-61-5)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: 3261
• Hazardous Substances Data: 175205-61-5(Hazardous Substances Data)

Usage

General Description

3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole is a chemical compound with the molecular formula C10H9ClN2O2. It belongs to the class of oxadiazole compounds, which have shown potential in various biological and pharmaceutical applications, including as anti-cancer, anti-inflammatory, and antimicrobial agents. This particular compound contains a chloromethyl group and a 2-methoxyphenyl group attached to a 1,2,4-oxadiazole ring, making it a potentially useful intermediate for the synthesis of other compounds with similar pharmacological properties. Its structural features make it a promising candidate for further study and development in the field of medicinal chemistry.

InChI:InChI=1/C10H9ClN2O2/c1-14-8-5-3-2-4-7(8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3

Downstream Products

• 1268618-94-5 (S)-5-guanidino(Pbf)-2-{[3-(3-{[5-(2-methyloxy-phenyl)-[1,2,4]oxadiazol-3-ylmethyl]-amino}-benzenesulfonylamino)-thiophene-2-carbonyl]-amino}-pentanoic acid methyl ester 
• 1443123-48-5 N-((5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)methyl)adamantan-1-amine 
• 503857-53-2 1-Cyclohexyl-2-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-ylmethoxy]phenyl]-5-[1H-tetrazol-5-yl]-1H-benzimidazole 
• 531506-38-4 methyl 4-{2-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy}benzoate 

Relevant articles and documents

Novel 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)-xanthine derivatives as high affinity and selective A2B adenosine receptor antagonists

A series of new 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)- xanthine derivatives as A2B-AdoR antagonists have been synthesized and evaluated for their binding affinities for the A2B, A 1, A2A, and A3-AdoRs. 8-(1-((3-phenyl-1,2,4- oxadiazol-5-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione (4) displayed high affinity (Ki = 1 nM) and selectivity for the A2B-AdoR versus A1, A2A, and A 3-AdoRs (A1/A2B, A2A/A2B, and A3/A2B selectivity ratios of 370, 1100, and 480, respectively). The synthesis and SAR of this novel class of compounds are presented herein.