3-[(Methylamino)methyl]benzonitrile

Step 1: 3-[(methylamino)methyllbenzonitrileIn a 3 necked round bottom flask (250 ml), put under nitrogen atmosphere, a solution of 3- (bromomethyl)benzonitrile (5 g; 25.5 mmol; 1 eq.) in anhydrous THF (20 ml) was added dropwise into methylamine (63.76 ml; 2 M; 127.52 mmol; 5 eq.) (2M solution in THF) over 1 hour. The reaction mixture was stirred at RT for 2 hours. Some bis-benzylation was observed (7percent). The reaction mixture was filtered to remove the salt. The filtrate was evaporated under reduced pressure. The residue was taken up with DCM and evaporated again to give the title compound as a yelllow oil (3.78 g, quantitative yield). It was used in the next step without any further purification. LC/MS (Method B) 146.8 (M+H)To a commercially available solution of methylamine 2M in tetrahydrofuran (200 ml, 400 mmol), 11.2 g (57.1 mmol) of 3-(bromomethyl)benzonitrile dissolved in 112 ml of To a stirred solution of methylamine(40percent in water) (200 ml_) under NTo a stirred solution of methylamine (40percent in water, 200 mL) under N

Molecular Weight:146.19
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:146.084398327
Monoisotopic Mass:146.084398327
Topological Polar Surface Area:35.8
Heavy Atom Count:11
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes