3-(4-broMophenyl)piperidin-2-one

Weighing the compound 3 (1.69 g, 4 . 22 mmol) dissolved in 9 ml ethyl acetate, adding 2 mlHCl (can also be used to replace trifluorobenzene sulfonic acid) stirring at room temperature for 30 minutes, the role of the amino protection structure is removed, concentrated under reduced pressure dissolved in 25 ml ethanol, adding potassium carbonate (0.7 g, 5 . 064 muM) after, 80 C reflow 20 h. After the reaction, by adding dilute hydrochloric acid (sulfuric acid can also be used to replace the) and excess of alkali in, then turns on lathe does solvent, water washing is filtered and dried to obtain white solid that target compound 4 (0.75 g, yield 70%).Weighing the compound 4 (0.75 g, 2 . 96 mmol) dissolved in 15 mlTHF (tetrahydrofuran) after lowering the temperature to 0 C, adding borane tetrahydrofuran complex (6.65 ml, 1.0 M in THF, 6 . 65 mmol, CAS: 14044 - 65 - 6) stir at room temperature overnight, after adding several drops of dilute hydrochloric acid quenching reaction reflux 1.5 h, turns on lathe does solvent evaporation, adding an amount of the sodium hydroxide solution, dichloromethane is used for extraction (25 ml * 3), combined with the organic phase, washed with saturated sodium chloride (25 ml * 2), drying, filtering, concentrating add 25 ml water and 25 ml hydrochloric acid in 110 C reflow 3 h, the reaction is finished adding proper amount of sodium hydrate to ph 7, dichloromethane is used for extraction (30 ml * 3), combined with the organic phase, washed with saturated sodium chloride (30 ml * 2) concentrated under reduced pressure to obtain yellow solid that the target compound 5 (0.64 g, yield 90%).A solution OF 6-AMINO-3- (4-BROMO-PHENYL)-HEXANOIC acid ethyl ester hydrochloride, potassium carbonate (1039 mg, 7. 52 mmol) in ethanol (50 ml) was refluxed for 20 hr. Solvent was removed in vacuo after addition of dilute hydrochloric acid and water was added to the residue. Filtration, wash with water and dryness afforded 3- (4-BROMO-PHENYL)-PIPERIDIN-2-ONE (1387 mg, 86%, 2 steps).

Molecular Weight:254.12
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:253.01023
Monoisotopic Mass:253.01023
Topological Polar Surface Area:29.1
Heavy Atom Count:14
Complexity:211
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes