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CAS No. : | 4021-50-5 | MDL No. : | MFCD00129191 |
Formula : | C8H5F3OS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OPAXHVNZGUGCKW-UHFFFAOYSA-N |
M.W : | 206.18 | Pubchem ID : | 2777846 |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
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* 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 |
---|---|---|
58% | With triethylsilane; trifluoroacetic acid; In dichloromethane; at 20 - 60℃; | Synthesis of exemplary compound 2: N-(4-(Trifluoromethylthio)benzyl)-<strong>[92914-74-4]isoxazolo[5,4-b]pyridin-3-amine</strong> 454 mg (2.2 mmol) of 4-(trifluoromethylthio)benzaldehyde were added to a solution of 270 mg (2.0 mmol) of <strong>[92914-74-4]isoxazolo[5,4-b]pyridin-3-amine</strong> (intermediate VX001) in DCM (20 ml), and the mixture was stirred for 1 h at RT. 958 mul (6.0 mmol) of triethylsilane and 446 mul (6.0 mmol) of TFA were then added, and the reaction solution was stirred for 3 d at 60 C. After cooling to RT, the mixture was rendered basic with a sat. aq. NaHCO3 soln. The phases were separated, and the aqueous phase was again extracted with DCM. The combined organic phases were dried over Na2SO4, filtered and concentrated in vacuo. CC (EA/hexane 7:3) of the residue yielded 373 mg (1.1 mmol, 58%) of N-(4-trifluoromethylthio)benzyp<strong>[92914-74-4]isoxazolo[5,4-b]pyridin-3-amine</strong>. MS: m/z 326.0 [M+H]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
6.0 g | A solution of 2,2,6,6-tetramethylpiperidinyl magnesium chloride lithium chloride complex solution (25 mL, 1.0 M in toluene/tetrahydrofuran) was slowly added to a stirred solution of <strong>[71902-33-5]3,5-difluoropyridine</strong> (2.4 g, 20.9 mmol) in tetrahydrofuran (60 mL) at -78 °C. After stirring at -40 °C to -20 °C for 1 hr, the reaction mixture was treated with 4-(trifluoromethylthio)benzyaldehyde (4.3 g, 20.9 mmol) in tetrahydrofuran (10 mL) at - 78 °C. After stirring for another 1 hr at -78 °C, the reaction mixture was diluted with water and extracted with ethyl acetate. The combined organic phases were washed with water and saturated aqueous NaCl solution, dried with anhydrous sodium sulfate and concentrated. The residue was purified by column chromatography on silica gel using hexanes/ethyl acetate (70:30 to 20:80) as eluent to afford the title product as a colorless oil (6.0 g, 18.7 mmol). H NMR (CDCI3) delta 8.35 (s, 2H), 7.66 (d, 2H), 7.48 (d, 2H), 6.29 (s, 1H), 3.00 (s, br. 1H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With toluene-4-sulfonic acid; In toluene; at 120℃; for 6h; | To a solution of <strong>[6342-80-9]4,5-dimethoxy-2,3-dihydro-1H-inden-1-one</strong> (165) (100 mg, 0.520 mmol) in toluene 15 mL was added 4-((trifluoromethyl)thio)benzaldehyde (72) (118.4 mg, 0.572 mmol) and PTSA (178.9 mg, 1.414 mmol). The reaction was stirred at 120 C. for 6 h. The resulting reaction mixture was diluted with ethyl acetate and washed with water (3×25 mL). The organic layer was dried over sodium sulphate and concentrated to get the crude, which was purified through flash chromatography by using 100-200 mesh silica gel. The compound was eluted at 25% ethyl acetate in hexane to afford yellow coloured solid of (E)-4,5-dimethoxy-2-(4-((trifluoromethyl)thio)benzylidene)-2,3-dihydro-1H-inden-1-one intermediate 166. |
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