(2,6-DICHLORO-3-NITRO)BENZYL ALCOHOL

Yellow solid

(1) 1-(tert-Butyldiphenylsilyloxymethyl)-2, 6-dichloro-3-nitrobenzene was obtained by reacting (3) (1) To a solution of (1) To a solution of 2, 6-Dichloro-3-nitrobenzoic acid (5.0 g, 21.3 mmol) was dissolved in tetrahydrofuran (100 ml), 1M boranetetrahydrofuran (84 ml) was added under ice-cooling, and the mixture was heated under reflux for 2 days. A treatment according to a conventional method using ethyl acetate as an extraction solvent gave a crude product, which was dissolved in ethyl acetate (100 ml). Palladium carbon (400 mg) was added, and the mixture was stirred in the presence of hydrogen at room temperature for 6 hr. After celite filtration, the solvent was evaporated, which was successively purified by silica gel column chromatography to give aniline derivative (1.4 g, 7.3 mmol). 1H-NMR (300 MHz, CDCl3) delta 4.14 (2H, br), 4.95 (2H, s), 6.80 (1H, d), 7.16 (1H, d)2, 6-Dichloro-3-nitrobenzoic acid (5.0 g, 21.3 mmol) was dissolved in tetrahydrofuran (100 ml), 1M boranetetrahydrofuran (84 ml) was added under ice-cooling, and the mixture was heated under reflux for 2 days. A treatment according to a conventional method using ethyl acetate as an extraction solvent gave a crude product, which was dissolved in ethyl acetate (100 ml). Palladium carbon (400 mg) was added, and the mixture was stirred in the presence of hydrogen at room temperature for 6 hr. After celite filtration, the solvent was evaporated, which was successively purified by silica gel column chromatography to give aniline derivative (1.4 g, 7.3 mmol). 1H-NMR (300 MHz, CDCl3) delta 4.14 (2H, br), 4.95 (2H, s), 6.80 (1H, d), 7.16 (1H, d)

Molecular Weight:222.02
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:220.9646484
Monoisotopic Mass:220.9646484
Topological Polar Surface Area:66
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes