4-BROMO-ISOTHIAZOLE

White to off-white solid

To a solution of isothiazole (5.0 g, 58.82 mmol) in AcOH (37 mL) was added BrTo a solution of isothiazole (5.0 g, 58.82 mmol) in AcOH (37 mL) was added Br2 (12.5 g, 78.12 mmol) dropwise at 95 oC over 20 min and the mixture was stirred for 6 h at 95 oC, then cooled to RT, and poured into ice water (100 mL). The resulting mixture was extracted with Et2O (200 mL x 2). The organic phases were washed with 6N NaOH to pH at 7~8, dried over anhydrous Na2SO4 and filtered. The filtrate was concentrated in vacuo, and the resulting residue was purified by distillation to afford To a reaction flask were added compound 30 (100 mg, 0.186 mmol), To a reaction flask were added compound 22 (100 mg, 0.195 mmol), To a reaction flask were added compound 5 (200 mg, 0.392 mmol), To a reaction flask were added compound 41 (100 mg, 0.19 mmol), The above oily liquid was dissolved in 10 mL of ethylene glycol dimethyl ether and 2 mL of water, and The above oily liquid was dissolved in 10 mL of ethylene glycol dimethyl ether and 2 mL of water, and The above oily liquid was dissolved in 10 mL of DME and 2 mL of water, and

Molecular Weight:164.03
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Exact Mass:162.90913
Monoisotopic Mass:162.90913
Topological Polar Surface Area:41.1
Heavy Atom Count:6
Complexity:50.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes