5-Amino-2,3-difluorobenzonitrile

5-amino-2, 3-difluorobenzonitrile (0273) To a solution of 2, 3-difluoro-5-nitrobenzonitrile (920 mg, 5.00 mmol) in acetonitrile (25 mL) was added iron powder (1.96 g, 35.10 mmol) and acetic acid (6.0 g, 99.91 mmol). The resulting mixture was stirred for 2 h at room temperature and the solid that formed in the reaction mixture were removed by filtration. The filtrate was diluted with water (100 mL) and the pH value of the mixture was adjusted to 8 with saturated sodium bicarbonate solution. The resulting mixture was extracted with ethyl acetate (150 mL×2) and the organic phases were combined, washed with brine and dried over sodium sulfate. The solvent was removed under reduced pressure and the residue was purified by a neutral alumina column with ethyl acetate in hexane (0percent to 65percent gradient) to yield 5-amino-2, 3-difluorobenzonitrile as yellow solid (660 mg, 86percent).A solution of 2, 3-difluoro-5-nitrobenzonitrile (35 mg, 0.19 mmol) in acetonitrile (2 mL) was cooled to 0

Molecular Weight:154.12
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:154.03425446
Monoisotopic Mass:154.03425446
Topological Polar Surface Area:49.8
Heavy Atom Count:11
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes