| Identification | Back Directory | [Name]
6-Benzothiazolol,2-(methylthio)-(9CI) | [CAS]
74537-49-8 | [Synonyms]
2-Methylthiobenzothiazol-6-ol 6-Benzothiazolol, 2-(methylthio)- 2-(Methylthio)benzo[d]thiazol-6-ol 6-Benzothiazolol,2-(methylthio)-(9CI) 2-(methylsulfanyl)-1,3-benzothiazol-6-ol | [Molecular Formula]
C8H7NOS2 | [MDL Number]
MFCD14585416 | [MOL File]
74537-49-8.mol | [Molecular Weight]
197.28 |
| Chemical Properties | Back Directory | [Melting point ]
131-132 °C | [Boiling point ]
375.3±34.0 °C(Predicted) | [density ]
1.46±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
8.43±0.40(Predicted) | [InChI]
InChI=1S/C8H7NOS2/c1-11-8-9-6-3-2-5(10)4-7(6)12-8/h2-4,10H,1H3 | [InChIKey]
IAQHORMPRYVLJX-UHFFFAOYSA-N | [SMILES]
S1C2=CC(O)=CC=C2N=C1SC |
| Hazard Information | Back Directory | [Synthesis]
Step 2. Preparation of 2-(methylmercapto)benzo[d]thiazol-6-ol: 2-mercaptobenzo[d]thiazol-6-ol (3.80 g, 20.76 mmol, 1.0 eq.) obtained from Step 1 was dissolved in dichloromethane (40 mL, 0.5 M) and cooled to 0 °C in an ice bath. Under stirring, triethylamine (7.29 mL, 51.91 mmol, 2.5 eq.) and iodomethane (1.93 mL, 31.14 mmol, 1.5 eq.) were added sequentially. The reaction temperature was maintained between 0 °C and -10 °C with continuous stirring for 3 hours. Upon completion of the reaction, the solvent was removed by rotary evaporator under reduced pressure. Water (~200 mL) was added to the residue and the aqueous layer was subsequently extracted with ethyl acetate (3 x 150 mL). The organic layers were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford 2-(methylmercapto)benzo[d]thiazol-6-ol (3.76 g, 92% yield) in light green powder form. | [References]
[1] Patent: US2008/45528, 2008, A1. Location in patent: Page/Page column 47 [2] Australian Journal of Chemistry, 1979, vol. 32, # 12, p. 2713 - 2726 |
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| Company Name: |
Energy Chemical
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| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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