133144-89-5

Basic information

• Product Name: 3-(CHLOROMETHYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE
• Synonyms: 3-(CHLOROMETHYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE
• CAS NO: 133144-89-5
• Molecular Formula: C₁₀H₆ClF₃N₂O
• Molecular Weight: 262.6156496
• Mol File: 133144-89-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 327.8±52.0 °C(Predicted)
• Appearance: /
• Density: 1.418±0.06 g/cm3(Predicted)
• PKA: -3.26±0.44(Predicted)
• CAS DataBase Reference: 3-(CHLOROMETHYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(CHLOROMETHYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE(133144-89-5)
• EPA Substance Registry System: 3-(CHLOROMETHYL)-5-(2-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE(133144-89-5)

Safety Data

• Hazardous Substances Data: 133144-89-5(Hazardous Substances Data)

Upstream product

• 312-94-7 2-trifluoromethylbenzoyl chloride 

Downstream Products

• 138129-11-0 {4-Oxo-3-[5-(2-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethyl]-3,4-dihydro-phthalazin-1-yl}-acetic acid 
• 138129-04-1 {4-Oxo-3-[5-(2-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethyl]-3,4-dihydro-phthalazin-1-yl}-acetic acid ethyl ester 

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.