BOC-2-ABZ-OH

Beige powder

A IL round-bottomed flask was charged with 2-aminobenzoic acid c (25.0 g, 182 mmol, 1.0 equiv) and a solution of 1 :1 THF:HA IL round-bottomed flask was charged with 2-aminobenzoic acid c (25.0 g, 182 mmol, 1.0 equiv) and a solution of 1 : 1 THFiH^O (364 mL, 0.5 M). The resulting heterogeneous mixture was adjusted to pH 10 by addition of 2N NaOH (aq). Di-tertbutyldicarbonate (43.7 g, 200 mmol, 1.1 equiv) was added to the reaction and the resulting homogeneous solution was stirred at ambient temperature overnight. Following removal of THF, via rotary evaporation, the aqueous solution was adjusted to pH 4 by addition of 15percent citric acid, causing precipitation of 2-(tert- butoxycarbonylamino)benzoic acid d as crystalline white solid. The crystalline solid was collected via vacuum filtration and then dried in a vacuum oven (36.0 g, 88percent).2-aminobenzoic acid (1.587 g, 11.6 mmol) and THF (16 ml), was suspended in water (16 ml). Was added until a 1 mol / l aqueous sodium hydroxide pH = 10 there.Thereto di - tert-butyl dicarbonate (2.772 g, 12.7 mmol) and stirred overnight at room temperature added. After the reaction, the solvent was evaporated. It was to pH = 4 by the addition of 15percent aqueous solution of citric acid to it. The precipitate was filtered and dried under reduced pressure, to give the title compound (2.075 g, 75.4percent) as a white solid.2-tert-Butoxycarbonylamino-benzoic acid A solution of 2-Amino-benzoic acid (20g , 0.15mol) in 1 : 1 THF/HA solution of 2-Amino-benzoic acid (20 g, 0.15 mol) in 1:1 THF/HStep (k)

Molecular Weight:237.25
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:237.10010796
Monoisotopic Mass:237.10010796
Topological Polar Surface Area:75.6
Heavy Atom Count:17
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes