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55690-60-3

55690-60-3 Structure

55690-60-3 Structure
IdentificationBack Directory
[Name]

2-MERCAPTO-5-METHOXYBENZOTHIAZOLE
[CAS]

55690-60-3
[Synonyms]

5-METHOXYBENZOTHIAZOLE-2-THIOL
5-Methoxy-2-benzothiazolethiol
5-Methoxy-2-mercaptobenzothiazole
2-MERCAPTO-5-METHOXYBENZOTHIAZOLE
5-Methoxybenzo[d]thiazole-2-thiol
5-Methoxy-2(3H)-benzothiazolethione
5-Methoxy-1,3-benzothiazole-2-thiol
5-methoxybenzothiazole-2(3H)-thione
2-MERCAPTO-5-METHOXYBENZOTHIAZOLE 98+%
5-methoxy-3H-1,3-benzothiazole-2-thione
2(3H)-Benzothiazolethione,5-methoxy-(9CI)
[EINECS(EC#)]

259-755-1
[Molecular Formula]

C8H7NOS2
[MDL Number]

MFCD00185941
[MOL File]

55690-60-3.mol
[Molecular Weight]

197.28
Chemical PropertiesBack Directory
[Melting point ]

190-193°C
[Boiling point ]

340.8±44.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

9.27±0.20(Predicted)
[color ]

Light yellow to Yellow to Orange
[Water Solubility ]

Insoluble in water.
[BRN ]

142225
Safety DataBack Directory
[Safety Statements ]

22-24/25
[HS Code ]

2934.20.8000
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Uses]

2-Mercapto-5-methoxybenzothiazole is used as an intermediate in organic synthesis.
[Synthesis]

4-Chloro-3-nitroanisole

10298-80-3

2-MERCAPTO-5-METHOXYBENZOTHIAZOLE

55690-60-3

General procedure for the synthesis of 2-mercapto-5-methoxybenzothiazole from 4-chloro-3-nitroanisole: 244 g of sodium polysulfide solution was mixed with 30 g of 1-chloro-4-methoxy-2-nitrobenzene, followed by the addition of 20 mL of carbon disulfide and continuous stirring. The reaction mixture was heated to reflux and maintained for about 5 hours, during which time a yellow solid precipitate was observed to form. Upon completion of the reaction, the mixture was filtered and the filtrate was diluted to 1000 mL with water to obtain an orange-yellow solution. The solution was neutralized to neutral with 6 M hydrochloric acid, at which point a light yellow solid precipitated. The solid product was collected by filtration, washed well with water and dried. Finally, 29.4 g of the target product 2-mercapto-5-methoxybenzothiazole was obtained in 93.1% yield.

[References]

[1] Patent: US2010/292285, 2010, A1. Location in patent: Page/Page column 2; 3
[2] Patent: US5451594, 1995, A
Spectrum DetailBack Directory
[Spectrum Detail]

2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3)MS
2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3)1HNMR
2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3)13CNMR
2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3)IR1
2-MERCAPTO-5-METHOXYBENZOTHIAZOLE(55690-60-3)IR2
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