Boc-3-Aminomethylbenzoic acid

Off-white powder

To a solution of 3-(tert-Butoxycarbonylamino-metliyl)-benzoic acid methyl ester (0.6 g, 2.20 mmol) in THF (4 mL) was added lithium hydroxide (0.3 g, 9.0 mmol) in water (2 mL) at25 °C. The reaction mixture was stirred at 50 °C over a period of 4 h. THF was removed under reduced pressure, acidified with acetic acid and the product was extracted with ethyl acetate, dried over sodium sulphate. The crude product was purified by column chromatography to give 3-(tert-Butoxycarbonylamino-methyl)-benzoic acid as a colourless solid (250 mg, 44 percent)To a solution of 3-(tert-Butoxycarbonylamino-methyl)-benzoic acid methyl ester (0.6 g, 2.20 mmol) in THF (4 mL) was added lithium hydroxide (0.3 g, 9.0 mmol) in water (2 mL) at 25° C.

Molecular Weight:251.28
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:251.11575802
Monoisotopic Mass:251.11575802
Topological Polar Surface Area:75.6
Heavy Atom Count:18
Complexity:309
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes