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CAS No. : | 825-83-2 | MDL No. : | MFCD00042320 |
Formula : | C7H5F3S | Boiling Point : | No data available |
Linear Structure Formula : | - | InChI Key : | WCMLRSZJUIKVCW-UHFFFAOYSA-N |
M.W : | 178.17 | Pubchem ID : | 136653 |
Synonyms : |
|
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405 | UN#: | 2810 |
Hazard Statements: | H301+H311+H331-H315-H319 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
47.7% | With potassium carbonate; In N,N-dimethyl-formamide; at 100℃; | N3-(3,5-dichloro-4-(4-(trifluoromethyl)phenylthio)phenyl)-lH-l,2,4-triazole-3,5-diam (Compound 7) (2,6-dichloro-4-nitrophenyl)(4-(trifluoromethyl)phenyl)sulfane In a 250-mL round-bottomed flask, 4-(trifluoromethyl)benzenethiol (1 g, 5.61 mmol, Eq: 1.00), l,3-dichloro-2-fluoro-5-nitrobenzene (1.18 g, 5.61 mmol, Eq: 1.00) and potassium carbonate (900 mg, 6.51 mmol, Eq: 1.16) were combined with N,N-dimethylformamide (22 mL) to give a yellow suspension. This mixture was heated at 100 C overnight. In the morning, TLC indicated the presence of a new major product. TLC also showed complete consumption of the thiophenol and only a trace of the fluorobenzene remaining. The reaction mixture was poured over ice. The product only oiled out, giving a yellowish suspension. This suspension was extracted with ethyl acetate. The organic phase was dried over magnesium sulfate, filtered, then concentrated to a brown oil. This product was loaded directly on a 120 g SiliCycle column. Flash chromatography (5% ethyl acetate-hexanes ramped to 10 ethyl acetate-hexanes) afforded 1.13 g (47.7%) of (2,6-dichloro-4-nitrophenyl)(4-(trifluoromethyl)phenyl)sulfane at high purity as a yellow oil. |
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