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[ CAS No. 54420-94-9 ]

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Chemical Structure| 54420-94-9
Chemical Structure| 54420-94-9
Structure of 54420-94-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 54420-94-9 ]

CAS No. :54420-94-9 MDL No. :MFCD02671016
Formula : C7H4INS2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :293.15 g/mol Pubchem ID :-
Synonyms :

Safety of [ 54420-94-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 54420-94-9 ]

  • Downstream synthetic route of [ 54420-94-9 ]

[ 54420-94-9 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 54420-94-9 ]
  • [ 74-88-4 ]
  • [ 1161730-21-7 ]
YieldReaction ConditionsOperation in experiment
76% With potassium carbonate In tetrahydrofuran at 20℃; 117.2 Step 2: To a stirred mixture of 6-iodobenzo[d]thiazole-2-thiol (0.5 g, 1.7 mmmol) and potassium carbonate(0.23 g, 1.7 mmol) in THF (10 mL) was added methyl iodide (0.12 mL, 1.1 mmol). After stirring at rt overnight, the mixturewas concentrated under reduced pressure to give a solid. The solid was partitioned between saturated aq sodiumcarbonate and DCM. The organic layer was dried over Na2SO4 and filtered, and concentrated under reduced pressureto give 6-iodo-2-(methylthio)benzo[d]thiazole as a off-white solid (0.4 g, 76%). 1H NMR (300 MHz, CDCl3) δ 8.07 (d, J= 1.2 Hz, 1H), 7.69 (dd, J = 1.8, 8.4 Hz, 1H), 7.58 (d, J = 8.4 Hz, 1H), 2.78 (s, 3H). LCMS (ESI) m/z 308 (M+H)+.
With potassium carbonate In tetrahydrofuran at 20 - 30℃; 6.6b 6-iodo-2-(methylthio)benzo[d]thiazole To a stirred, room temperature mixture of 6-iodobenzo[d]thiazole-2-thiol (Reference Example 6a, 1.5 g, 5.1 mmol) and potassium carbonate (0.707 g, 5.1 mmol) in tetrahydrofuran (30 mL) was added methyl iodide (0.35 mL, 5.6 mmol). The reaction mixture was stirred at room temperature overnight, then volatiles were removed under reduced pressure to give a solid. The solid was partitioned between saturated aqueous sodium carbonate and chloroform. The chloroform layer was dried (MgSO4) and filtered. The filtrate was concentrated under reduced pressure to provide 6-iodo-2-(methylthio)benzo[d]thiazole. 1H NMR (300 MHz, CDCl3) δ ppm 2.78 (s, 3H), 7.58 (d, J=9 Hz, 1H), 7.69 (dd, J=2, 9 Hz, 1H), 8.07 (d, J=2 Hz, 1H); MS (DCI/NH3) m/z 308 (M+H)+.
  • 2
  • [ 54420-94-9 ]
  • [ 855282-75-6 ]
YieldReaction ConditionsOperation in experiment
66% With sulfuryl dichloride In dichloromethane at 20℃; for 4h; Inert atmosphere;
  • 3
  • [ 6962-92-1 ]
  • [ 54420-94-9 ]
  • C13H14INO2S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
0.49 g With potassium carbonate; potassium iodide; In N,N-dimethyl acetamide; at 70℃; for 6h; Compound 10 (0.40 g, 1.4 mmol) and <strong>[6962-92-1]4-chlorobutyl acetate</strong> (0.25 g, 1.7 mmol) were dissolved in dimethyl acetamide (10 ml). Potassium carbonate (0.24 g, 1.7 mmol) and potassium iodide (47.5 mg, 0.286 mmol) were added to the resulting solution, and then the solution was stirred at 70 C. for 6 hours. After cooling the solution to room temperature, 1 N hydrochloric acid was added to the solution, followed by extraction with ethyl acetate. The organic layer obtained by extraction was washed once with saline, and sodium sulfate was added to the washed organic layer. The obtained organic layer was filtered to collect the filtrate, and then the solvent was distilled off from the filtrate under reduced pressure. The resulting residue was purified by flash column chromatography to obtain Compound 11 (0.49 g) in the form of a pale yellow oil.
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