6-Benzothiazolol(7CI,8CI,9CI)

The ethyl acetate extract was then washed with 1M NaOH (50mL), the aqueous phase was acidified with 3M HCl, and extracted with ethyl acetate. Evaporation of the solvent at 60°C caused complete decarboxylation of the unstable acid 13b. Purification by column chromatography (DCM/acetone 95:5) gave title compound 14 as a colourless solid that was recrystallized from aqueous ethanol (0.7g, 4.6mmol, 50percent). Mp 190–192°C (lit.6-Methoxybenzothiazole (1.2g) in hydrobromic acid (10ml, 48%) was heated at 120Cwith stirring for 6 hours then stored at ambient temperature for 2 days. The hot, paleyellow solution produced a suspension on cooling. The suspension was dissolved by theaddition of water then the solution was adjusted to pH 6 by addition of sodium hydrogencarbonate and the solid which precipitated was filtered from solution, washed with waterand sucked to dryness. The solid was dissolved in ethyl acetate, dried over magnesiumsulphate and evaporated under reduced pressure to give Step 2:; The product of Step 1 (1.2g) in hydrobromic acid (10ml, 48%) was heated at 12O0C with stirring for 6 hours then stored at ambient temperature for 2 days. The hot, pale yellow solution produced a suspension on cooling. The suspension was dissolved by the addition of water then the solution was adjusted to pH 6 by addition of sodium hydrogen carbonate and the solid that precipitated was filtered from solution, washed with water and sucked to dryness. The solid was dissolved in ethyl acetate, the solution dried over magnesium sulphate and evaporated to give The product of Step 1 (1.2g) in hydrobromic acid (10ml, 48%) was heated at120C with stirring for 6 hours then stored at ambient temperature for 2 days. The hot, pale yellow solution produced a suspension on cooling. The suspension was dissolved bythe addition of water then the solution was adjusted to pH 6 by addition of sodiumhydrogen carbonate and the solid that precipitated was filtered from solution, washedwith water and sucked to dryness. The solid was dissolved in ethyl acetate, the solutiondried over magnesium sulphate and evaporated to give The ethyl acetate extract was then washed with 1M NaOH (50mL), the aqueous phase was acidified with 3M HCl, and extracted with ethyl acetate. Evaporation of the solvent at 60C caused complete decarboxylation of the unstable acid 13b. Purification by column chromatography (DCM/acetone 95:5) gave title compound 14 as a colourless solid that was recrystallized from aqueous ethanol (0.7g, 4.6mmol, 50%). Mp 190-192C (lit.24 184-185C). Rf=0.35 (petroleum ether/AcOEt 6:4). 1H NMR (CD3OD): delta=8.98 (s, 1H, 2-H), 7.88 (d, J=8.3Hz, 1H, 4-H), 7.38 (d, J=2.1Hz, 1H, 7-H), 7.06 (dd, J=8.3 and 2.1Hz, 1H, 5-H)ppm. 13C NMR (CD3OD): delta=164.8 (6-C), 155.9 (9-C), 152.1 (2-CH), 134.9 (8-C), 122.8 (4-CH), 115.9 (5-CH), 106.1 (7-CH)ppm.6-[3[4-(Benzhydryl)piperazin-1-yl]propoxy]benzothiazole General procedure: Add 2 ml of water to the microwave reactor, 1 mmol of benzothioamide and 0.2 mmol of cesium carbonate, Reacted at a fixed power of 120 W for 10 min, Extracted with ethyl acetate and concentrated under reduced pressure.To give a pale yellow solid, yield 99%.

Molecular Weight:151.19
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:151.00918496
Monoisotopic Mass:151.00918496
Topological Polar Surface Area:61.4
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes