Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-, Methyl ester

General procedure: 2 mmol of either amidoxime 1 [30] or 2 [26] were dissolved in acetone (200 mL) in a round-bottomed flask; then, K44g of 3-(N-2-Fluorobenzoylcarbamimidoyl)-benzoic acid methyl ester in toluene (500 mL) was refluxed for 4h at 130 °C using Dean-Stark apparatus. The reaction mixture was stirred at 5 °C for 18h. The white precipitate was filtered off and the filtrate was concentrated, crystallized again in toluene. The desired oxadiazole (38g, 92percent yield) was obtained as a white solid with 99percent purity (LC/UV). 44g of 3-(N-2-Fluorobenzoylcarbamimidoyl)-benzoic acid methyl ester in toluene (500 mL) was refluxed for 4h at 130 44g of 3-(N-2-Fluorobenzoylcarbamimidoyl)-benzoic acid methyl ester in toluene (500 mL) was refluxed for 4h at 130 At 130 ° C with Dean-StarkThe solution was heated to dissolve 44 grams of toluene in 500 ml3- (N-2-fluorobenzoylamidino) -benzoic acid methyl ester for 4 hours.The reaction mixture was stirred at 5 ° C for 18 hours. The white precipitate was filtered off, the filtrate was concentrated, And then crystallized in toluene.To obtain 38 g of methyl 3- [5- (2-fluorophenyl) - [1, 2, 4-oxadiazol-3-yl] -benzoic acid methyl ester.

Molecular Weight:298.27
XLogP3:3.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:298.07537038
Monoisotopic Mass:298.07537038
Topological Polar Surface Area:65.2
Heavy Atom Count:22
Complexity:396
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes