4-BENZO[1,3]DIOXOL-5-YL-THIAZOL-2-YLAMINE

Benzo [d] [1, 3] dioxol-5-yl) -2-bromoethanone (3)(3.00 g, 12.3 mmol) was dissolved in ethanol (150 ml), and then thiourea (1.88 g, 24.7 mmol) was added thereto and reacted at 66-80 ° C for 24 hours under a nitrogen stream. After the reaction was completed, the reaction mixture was concentrated under reduced pressure, dissolved in ethyl acetate, and saturated NaHCO3 solution was added thereto. The ethyl acetate layer was separated, dried over anhydrous Na2SO4, and purified by column chromatography (THF: Hexane = 1: 3). Yield: 41.3percent.To a solution of 1-(benzo[d][1, 3]dioxol-5-yl)-2-bromoethan-1-one (5) (1.0 equiv.) in EtOH was added thiourea (2.0 equiv.) and stirred at 80°C for 24 h. The reaction progress was monitored by TLC and the solvent was removed invacuoand then added saturated NaHCO

Molecular Weight:220.25
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:220.03064868
Monoisotopic Mass:220.03064868
Topological Polar Surface Area:85.6
Heavy Atom Count:15
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes