2-chloro-3,4-difluorobenzoic acid

To a solution of To a solution of 2-chloro-3, 4-difluorobenzoic acid Intermediate BB1 (1.0 g, 5.2 mmol) in N, N-dimethylformamide (10 mL) were added 1-hydroxybenzotriazole (1.1 g, 7.8 mmol) , N, N-diisopropylethylamine (4.6 mL, 26 mmol) and N- (3-Dimethylaminopropyl) -N?-ethylcarbodiimide hydrochloride (1.5 g, 7.8 mmol) under nitrogen atmosphere at room temperature. The resulting mixture was stirred at room temperature for 10 minutes. O, N-dimethyl-hydroxylamine hydrochloride (0.5 g, 5.2 mmol) was added and stirring continued at room temperature overnight. After quenched with water (20 mL) , the mixture was extracted with ethyl acetate (20 mL) for three times. The combined organic layers were washed with water (20 mL) , brine (20 mL) , dried over Na2SO4 (s), filtered and concentrated to leave a residue, which was purified by silica gel column chromatography (petroleum ether : ethyl acetate = 4 : 1 to 2 : 1) to give the title compound (1.06 g, 87 %yield) as yellow solids.1H NMR (400 MHz, DMSO-d6) delta 7.60 -7.53 (m, 1H) , 7.42 -7.38 (m, 1H) , 3.80 -3.45 (m, 3H) , 3.39 -3.06 (m, 3H) .

Molecular Weight:192.55
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:191.9789634
Monoisotopic Mass:191.9789634
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes