2-Chloro-4-fluorobenzoic acid

white powder or flakes

General procedure: For a typical reaction, a Vapourtec 2R+ Series was used as the platform with a Vapourtec Gas/Liquid Membrane Reactor to load the carbon monoxide. The HPLC pump were both set at 0.125 mL/min, temperature of the reactor at 110 °C, pressure of CO at 15 bar with a back pressure regulator of 250 psi (17.24 bar). The system was left running for 2 h to reach steady state after which time the flow streams were switched to pass from the loops where the substrates and catalysts were loaded. The first loop (5 mL) was filled with a solution of palladium acetate (20 mg, 0.08 mmol), triphenylphosphine (48 mg, 0.168 mmol) in 6 mL of 1, 4-dioxane while the second loop (5 mL) was filled with a solution made from the ortho-substituted iodoarene substrate (1.68 mmol), triethylamine (0.272 g, 0.374 mL, 2.69 mmol) and water (0.505 g, 28 mmol) in 5.8 mL of 1, 4-dioxane. An OmnifitTo a four-necked flask was charged with 4-amino-2-chlorobenzoic acid 0.56mol, ionic liquids and water 3mol 50mol, warmed to 40-50 ° C, was added 3mol hydrogen peroxide, the reaction 3h, continue to add potassium fluoride 5mol and Tungstophoric ammonium salt 0.08mol, stirred 3h, filtered, and the filtrate solvent was removed under reduced pressure and dried to give 2-chloro-4-fluoro-benzoic acid, yield 97.5percent.Compound 17 (1 g, 6.31 mmol) and CH3CN (20 ml) were added to a 100 ml three-necked flask and stirred at 0°C until dissolved.Further, 5 ml of an aqueous solution of NaClO2 (1.71 g, 18.92 mmol) was added thereto, the mixture was further stirred and mixed, and 5 ml of an aqueous solution of HCl (3.31 ml, 25.23 mmol) was slowly added dropwise.After the addition was completed, the mixture was stirred at 0°C for 0.5 h. The reaction flask was transferred to a silicone oil bath, and the temperature was raised to 80°C and stirred for 0.5 h. The reaction was completed by TLC. The acetonitrile in the reaction solution was spin-dried and diluted with 10 ml of H2O.Adjust pH to 2 with 6N HCl, extract with ethyl acetate/water, dissolve the product in the organic phase, separate the liquid, collect the organic phase, dry with anhydrous Na2SO4, and spin dry the organic solvent.The crude product was obtained, purified by column chromatography, and eluted with petroleum ether:ethyl acetate=2:1 to give compound 21 as a white solid, 1.0 g, yield: 90.8percent.

Used as medicine, pesticide, liquid crystal material intermediate

Molecular Weight:174.55
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.9883852
Monoisotopic Mass:173.9883852
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes