ChemicalBook--->CAS DataBase List--->203395-29-3

203395-29-3

203395-29-3 Structure

203395-29-3 Structure
IdentificationBack Directory
[Name]

5-Bromo-2-(methylthio)benzo[d]thiazole
[CAS]

203395-29-3
[Synonyms]

5-Bromo-2-(methylthio)benzothiazole
5-Bromo-2-(methylthio)benzo[d]thiazole
Benzothiazole, 5-bromo-2-(methylthio)-
5-bromo-2-methylsulfanyl-1,3-benzothiazole
[Molecular Formula]

C8H6BrNS2
[MDL Number]

MFCD01935107
[MOL File]

203395-29-3.mol
[Molecular Weight]

260.17
Chemical PropertiesBack Directory
[Boiling point ]

358.5±34.0 °C(Predicted)
[density ]

1.72±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

0.72±0.10(Predicted)
Hazard InformationBack Directory
[Synthesis]

5-Bromo-2-mercaptobenzothiazole

71216-20-1

Iodomethane

74-88-4

5-Bromo-2-(methylthio)benzo[d]thiazole

203395-29-3

Step B: Synthesis of 5-bromo-2-(methylthio)benzo[d]thiazole; 5-bromobenzo[d]thiazole-2-thiol (24 mg, 0.098 mmol) was dissolved in ethanol (1.5 mL), and triethylamine (10 mg, 0.098 mmol) and iodomethane (14 mg, 0.098 mmol) were added sequentially. The reaction mixture was heated to reflux for 1.5 hours. After completion of the reaction, the reaction mixture was extracted with dichloromethane (3 x 10 mL). The organic phases were combined, washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to afford the target product 5-bromo-2-(methylthio)benzo[d]thiazole (20 mg, 80% yield).1H NMR (400 MHz, CDCl3) δ: 8.02 (s, 1H), 7.60 (d, 1H), 7.39 (d, 1H), 2.79 (s, 3H).

[References]

[1] Patent: WO2007/110364, 2007, A1. Location in patent: Page/Page column 57
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