4-[(Methylamino)methyl]benzonitrile

Colorless Liquid

Methylamine (350 ml of a 40percent aqueous solution, 4.06 mol) was added to a solution of 4-(bromomethyl)benzonitrile (51.3 g, 262 mmol) in EtOH (500 ml). After 2 h, the solvent was removed in vacuo and CHINTERMEDIATE 64-[(Methylamino)methyl]benzonitrileMethylamine (40percent wt in HTo a solution of 4-(bromomethyl)benzonitrile (49 g, 1 eq.) in tetrahydrofurane (500 mL) methylamine (194 g of a 40percent solution by weight, 10 eq. ) was added. The mixture was stirred overnight at room temperature. After removing the solvent under reduced pressure, an aqueous solution of sodium chloride was added and the aqueous mixture was extracted with ethylacetate. The combined organic layer was dried with magnesium sulfate and freed from solvent. The title compound (35.6 g) was used directly without further purification.(ii)

Molecular Weight:146.19
XLogP3:1
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:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes