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CAS No. : | 937-00-8 | MDL No. : | MFCD00041142 |
Formula : | C7H5F3S | Boiling Point : | - |
Linear Structure Formula : | (CF3)C6H4SH | InChI Key : | SCURCOWZQJIUGR-UHFFFAOYSA-N |
M.W : | 178.17 | Pubchem ID : | 136751 |
Synonyms : |
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Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P403+P235-P405 | UN#: | 2810 |
Hazard Statements: | H301+H311+H331-H315-H319-H227 | 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 |
---|---|---|
41.6% | With potassium carbonate; In N,N-dimethyl-formamide; at 100℃; for 3h; | N*3*-[3,5-Dichloro-4-(4 rifluoromethyl^henylsulfanyl)^henyl]-lH-[l,2,4]triazole-3,5- iamine (Compound 9) (2,6-dichloro-4-nitrophenyl)(3-(trifluoromethyl)phenyl)sulfane In a 250-mL round-bottomed flask, l,3-dichloro-2-fluoro-5-nitrobenzene (1.0 g, 4.76 mmol, Eq: 1.00), 3-trifluoromethyl thiophenol (848 mg, 4.76 mmol, Eq: 1.00) and potassium carbonate (658 mg, 4.76 mmol, Eq: 1.00) were combined with Nu,Nu-dimethylformamide to give a light brown suspension. The reaction mixture was heated at 100 C for 3 hr. After this time, the reaction mixture was poured into ice to give a yellow suspension. The suspension was extracted with ethyl acetate. The organic phase was dried (sodium sulfate) filtered, then concentrated to give a brown oil. Purified by loading the crude directly onto a 120 g SiliCylcle column with a minimal amount of methylene chloride. Eluted using 100% hexanes ramped to 10% ethyl acetate hexanes. Obtained 1.62 g (92.4%) of impure product. The material was purified a second time using an 80 g column on an Intelliflash 280; collected peaks only in 28 mL fractions at 53 mL/min; equilibrated with hexanes; dry loaded; eluted 4 min with hexanes; increased from 0 - 50% dichloromethane/hexanes over 20 min. Obtained 730 mg (41.6 %) of pure (2,6-dichloro-4- nitrophenyl)(3-(trifluoromethyl)phenyl)sulfane as a yellow oil. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In ethanol; water; at 20℃; for 0.0166667h; | An aqueous solution of <strong>[3081-61-6]theanine</strong> was added to 50 mM sodium borate buffer solution (50 muL)(1 mM, 50 muL), ethanol solution of fluorinated thiol (100 mM, 50 muL)And ethanol solution of ortho-phthalaldehyde (OPA) (100 mM, 25 muL)And the mixture was reacted at room temperature for 1 minute. |