BENZYL (3-BROMO-2-OXOPROPYL)CARBAMATE

The precursor [(3 S)-(7-BroMo-2-oxo-5-pyridin-2-yl-2, 3 -dihydro- 1H-benzo[e] [1, 4] diazepin-3 -yl)-propionic acid Methyl ester (Compound of formula TV, S enantiomer, 25.0 gr) and dichloromethane (?IVIDC?, 375 ml) were charged into a clean, dry 4 neck RBF. The reaction mixture was stirred for 5-10 minutes at temperature of 20-25C and a clear solution was obtained. 2-bromo pyridine (29.46 gr) was added to the solution and the obtained reaction mixture was stirred for 5-10 minutes. The obtained reaction mass was cooled down to a temperature of -15 to -20C. Then, Triflic anhydride (26.32 gr) was slowly added, over a period of 30-45 minutes to the cooled reaction mass, at the same temperature of-15 to -20C. After the addition was completed, the obtained reaction mixture was stirred for 30-45 minutes, at the same temperature of -15 to -20C. The reaction progress was monitored by HPLC (monitor intermediate (S)-3 -(2-(methoxycarbonyl)ethyl)-7-bromo-5 - (pyridin-2-yl)-3H-benzo [e] [1, 4] diazepin-2-yl trifluoromethanesulfonate formation). Afterwards,

Molecular Weight:119.16
XLogP3:-0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:119.094628657
Monoisotopic Mass:119.094628657
Topological Polar Surface Area:44.5
Heavy Atom Count:8
Complexity:61.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes