| Identification | Back Directory | [Name]
2-BROMO-6-BENZOTHIAZOLECARBOXYLIC ACID | [CAS]
22514-58-5 | [Synonyms]
2-BROMO-6-BENZOTHIAZOLECARBOXYLIC ACID
2-BroMe-6-benzothiazolecarboxylic acid
6-Benzothiazolecarboxylic acid, 2-bromo-
2-bromobenzo[d]thiazole-6-carboxylic acid
2-broMo-1,3-benzothiazole-6-carboxylic acid
JR-14055, 2-Bromobenzo[d]thiazole-6-carboxylic acid, 97% | [Molecular Formula]
C8H4BrNO2S | [MDL Number]
MFCD09266217 | [MOL File]
22514-58-5.mol | [Molecular Weight]
258.09 |
| Chemical Properties | Back Directory | [Melting point ]
232-233℃ (dec.) | [Boiling point ]
444.1±37.0 °C(Predicted) | [density ]
1.912 | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
3.55±0.30(Predicted) | [Appearance]
Off-white to light brown Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-bromobenzothiazole-6-carboxylic acid from methyl 2-aminobenzothiazole-6-carboxylate: to a mixed solution of methyl 2-bromobenzothiazole-6-carboxylate (1.256 g, 4.39 mmol) in tetrahydrofuran (THF, 60 mL) and water (H2O, 20 mL) was added at 0 °C lithium hydroxide monohydrate (920 mg, 21.9 mmol). The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the pH was adjusted to 2 with 1N hydrochloric acid (HCl) solution, followed by extraction with ethyl acetate. After the organic phase was washed with saturated saline, the solvent was removed by distillation under reduced pressure, and the crude product obtained could be used directly in the next step of the reaction without further purification. Mass Spectrometry (ESI) m/z: 257.9 (M + 1)+. | [References]
[1] Patent: WO2008/124393, 2008, A1. Location in patent: Page/Page column 33-34 |
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