4-Fluoro-2-benzothiazolamine

White solid

To a suspension of (2-fluorophenyl) thiourea (1.7g, 10.0 mmol) in chloroform [(25ML)] was added a solution of bromine (0.51 mL; 10.0 mmol) dropwise at room temperature. The resulting mixture was heated under reflux for 3 hrs. The solvent was evaporated, water was added and the mixture was neutralized with ammonium hydroxide. The resulting white precipitation was collected by filtration and dried to yield 1.2 g (72percent) of the title compound which was used in the subsequent step without further purification.General procedure: To a mixture of aniline (1) (2.0 g, 0.021 mol) and ammonium thiocyanate (6.5 g, 0.086 mol), bromine (2.2 mL, 0.043 mol) in dichloromethane (20 mL) and stirred for 16 h at ambient temperature. Later than water was added to the reaction mixture and the product was extracted in dichloromethane (3 × 30 mL). The solvent was evaporated under vacuum to afford the as crude, which was further purified by column chromatography using EtOAc:Hexane (4:6) to give compounds 2a-d.General procedure: A mixture of aniline (0.05mol) and NH

Molecular Weight:168.19
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:168.01574750
Monoisotopic Mass:168.01574750
Topological Polar Surface Area:67.2
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes