3-Chloro-4-fluorobenzoic acid

white to light yellow crystal powder

2 g of 3-chloro-4-fluorobenzoyl chloride (purity 99.6percent GC [a/a]) are carefully hydrolyzed in 4 g of 50percent strength sodium hydroxide solution and 20 g of water at 60° C. Prepared using a method reported in J. Org. Chem. (2003), 68(5), 2030-2033 and described below:BuLi (68.8 mL, 110 mmol) was diluted with tetrahydrofuran (THF) (80 mL) and cooled to -20 0C. 2, 2, 6, 6-tetramethylpiperidine (18.56 mL, 110 mmol) was added dropwise and the mixture stirred at -2O0C for 15 minutes. The solution was cooled to -50 0C whereupon General procedure: Intermediate 5 (100 mg, 0.479 mmol), benzoic acid (59 mg, 0.479 mmol) were dissolved in dichloromethane (5 mL). HOBT (90 mg, 0.669 mmol), EDCI (128 mg, 0.669 mmol) and Et3N (215 muL, 1.338 mmol) were added at room temperature. The reaction mixturewas stirred for overnight. After completion of the reaction, as indicatedby TLC, the solvent was removed by rotary evaporation. Residue waspurified by flash chromatography to gave compound 6a (76 mg, 0.224 mmol, yield 51.08%) as white solid.To a solution of

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