175205-84-2

Basic information

• Product Name: 3-(CHLOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE
• Synonyms: BUTTPARK 48\08-23;3-(CHLOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE;3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole95+%;3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, tech;1,2,4-Oxadiazole, 3-(chloroMethyl)-5-[4-(trifluoroMethyl)phenyl]-
• CAS NO: 175205-84-2
• Molecular Formula: C₁₀H₆ClF₃N₂O
• Molecular Weight: 262.62
• Mol File: 175205-84-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 48-50°C
• Boiling Point: 314.5 °C at 760 mmHg
• Flash Point: 144 °C
• Appearance: /
• Density: 1.418 g/cm³
• CAS DataBase Reference: 3-(CHLOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(CHLOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE(175205-84-2)
• EPA Substance Registry System: 3-(CHLOROMETHYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE(175205-84-2)

Safety Data

• Hazard Codes: C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 175205-84-2(Hazardous Substances Data)

Usage

General Description

3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is a chemical compound consisting of a 1,2,4-oxadiazole ring (a five-member heterocyclic ring made of one oxygen atom, two nitrogen atoms, and two carbon atoms) which is substituted by a chloromethyl group and a trifluoromethylphenyl group. It can be used in the preparation of other complex organic compounds. The exact properties, such as its physical state, color, solubility, melting point, boiling point, density, stability, and more, would largely depend on the reaction conditions and purification methods. As it is a chemical substance not typically found in nature, precautions should be taken when handling to prevent any potential health, safety, or environmental hazards.

Upstream product

• 257624-87-6 C₁₀H₈ClF₃N₂O₂ 
• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 

Downstream Products

• 1026597-86-3 N-{4-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-benzyl}-hydroxylamine 
• 1027146-40-2 N-{3-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-benzyl}-hydroxylamine 
• 1027553-91-8 3-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-benzaldehyde 

Relevant articles and documents

Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies

The discovery of novel potent neuraminidase (NA) inhibitors remains an attractive approach for treating infectious diseases caused by influenza. In this study, we describe the design and synthesis of novel N-substituted oseltamivir derivatives for probing the 150-cavity which is nascent to the activity site of NA. NA inhibitory studies showed that new derivatives demonstrated the inhibitory activity with IC50 values at nM level against NA of a clinical influenza virus strain. Moreover, the in silico ADME predictions showed that the selected compounds had comparable properties with oseltamivir carboxylate, which demonstrated the druggablity of these derivatives. Furthermore, molecular docking studies showed that the most potent compound 6f and 10i could adopt different modes of binding interaction with NA, which may provide novel solutions for treating oseltamivir-resistant influenza. Based on the research results, we consider that compounds 6f and 10i have the potential for further studies as novel antiviral agents.

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.