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CAS No. : | 97986-34-0 | MDL No. : | MFCD16620977 |
Formula : | C12H16O4S | Boiling Point : | - |
Linear Structure Formula : | CH3C6H4SO3C5H9O | InChI Key : | ZEERHWXRRLRIQO-UHFFFAOYSA-N |
M.W : | 256.32 | Pubchem ID : | 13961807 |
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: |
* 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 |
---|---|---|
With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 90℃; for 16h; | [1257] 1-(tetrahydro-2H-pyran-4-yl)-<strong>[35344-95-7]1H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong></strong> : To a solution of tetrahydro-2H-pyran-4-yl 4-methylbenzenesulfonate (0.6 g, 2.34 mmol, 1 eq) and <strong>[35344-95-7]1H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong></strong> (0.225 g, 2.34 mmol, 1 eq) in DMF (10 mL) was added Cs2CO3 (0.83 g, 2.57 mmol, 1.1 eq) at room temperature. The reaction mixture was stirred at 90C. for 16 h. TLC (70% EtOAc in hexane) showed the reaction was completed. The reaction was cooled to room temperature and was diluted with EtOAc (50 mL) and water (25 mL). Organic layer was separated, washed with water (325 mL), brine solution (10 mL), dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to get the crude product. [1258] Obtained crude product was purified by flash column chromatography using 0-50% EtOAc in hexane as an eluent to give 1-(tetrahydro-2H-pyran-4-yl)-<strong>[35344-95-7]1H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong></strong>. LC-MS (m/z)=181 [M+H]+. 1H NMR (400 MHz, CDCl3) delta ppm 2.03-2.15 (m, 4H), 3.54 (t, J=11.6 Hz, 2H), 4.10-4.13 (m, 2H), 4.35-4.41 (m, 1H), 7.98 (s, 2H), 9.86 (s, 1H). |