5-Bromo-2-methylbenzothiazole
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5-Bromo-2-methylbenzothiazole
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CAS No:
63837-11-6
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Formula:
C8H6BrNS
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Chemical Name:
5-Bromo-2-methylbenzothiazole
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Synonyms:
Benzothiazole,5-bromo-2-methyl-;5-Bromo-2-methylbenzothiazole;2-Methyl-5-bromobenzothiazole;5-Bromo-2-methyl-1,3-benzothiazole;5-Bromo-2-methylbenzo[d]thiazole
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CAS No:
5-Bromo-2-methylbenzothiazole Use and Manufacturing
Step A: Sodium nitrite (0.9 g, 13 mmol) was added portionwise to a suspension of 2-methyl-5-aminobenzothiazole dihydrochloride (2.0 g, 8 mmol) in hydrobromic acid (24 ml) at 0° C. The resulting mixture was added dropwise to a solution of copper(I) bromide (4.0 g, 14 mmol) in hydrobromic acid (50 ml) at 0° C. After stirring at 0° C. for 2 hours, water was added. The reaction mixture was basified to pH 9 using aqueous ammonium hydroxide and was extracted with ethyl acetate. The combined organic layers were dried over magnesium sulfate to give 2-methyl-5-bromobenzothiazole (1.0 g, 52percent, 82percent AUC GC) after chromatography (9:1 heptane/ethyl acetate):
Computed Properties
Molecular Weight:228.11
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Exact Mass:226.94043
Monoisotopic Mass:226.94043
Topological Polar Surface Area:41.1
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
