1-Benzyl-2,5-dihydro-1H-pyrrole

Was synthesised according to published methods with slight modifications: a), b). To a solution of cis-1, 4-dichloro-2-butene (0.76 g, 5.77 mmol) in anhydrous dichloromethane (4 ml) cooled at 5°C, benzylamine (3.75 g, 34.66 mol) was added dropwise. Was synthesised according to published methods with slight modifications: a), b). 14.6 mL (127 mmol) benzyl chloride are added dropwise to a solution of 10 mL (127 mmol) 2, 5-dihydro-1H-pyrrol in 100 mL acetonitrile, while the reaction mixture heats up to 45° C. After 1.5 h 300 mL MTBE is added to the suspension, the precipitate is suction filtered and the filtrate is evaporated down. The residue is purified by chromatography (silica gel, EtOAc/MeOH/NH1-4.6 mL (127 mmol) of benzyl chloride is added dropwise to a solution of 10 mL (127 mmol) of 2, 5-dihydro-1H-pyrrole in 100 mL of acetonitrile, during which time the reaction mixture heats up to 45° C. After 1.5 hours, 300 mL of MTBE is added to the suspension, the precipitate is filtered off, and the filtrate is evaporated down. The residue is purified by chromatography (silica gel, EtOAc/MeOH/NH

Molecular Weight:159.23
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:159.104799419
Monoisotopic Mass:159.104799419
Topological Polar Surface Area:3.2
Heavy Atom Count:12
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes