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CAS No. : | 1124-75-0 | MDL No. : | MFCD02683212 |
Formula : | C6H5N3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | HOMZHGIUBGGGEL-UHFFFAOYSA-N |
M.W : | 151.19 | Pubchem ID : | 295777 |
Synonyms : |
|
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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 |
---|---|---|
77% | for 4 h; Heating / reflux | A.mixture of compound from step 1 (7 g, 27.5 mmol) and copper cyanide (2.46 g, 27.5 mmol) in pyridine (150 mL) was heated at reflux for 4 hours. The reaction mixture was cooled to room temperature, concentrated, filtered, and washed with ether. The filtrate was washed with water, brine, dried (Na2S04), filtered, and concentrated. The residue was purified on silica gel using 10 percent ethyl acetate-hexane to afford the title compound (3.2 g, 77percent) as a white solid. MS (ES+) m/z 152 [M+H]+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
66% | for 2 h; Heating / reflux | Reference Example 103 6-Cyano-2-methylthiopyrimidine A mixture of 2-chloro-6-cyanopyrimidine (2.20 g, 15.8 mmol), sodium thiomethoxide (1.22 g, 17.3 mmol) and THF (100 ml) was refluxed for 2 hrs.. The reaction mixture was combined with ethyl acetate and water.. The organic layer was washed with saturated brine and dried over anhydrous magnesium sulfate.. The solvent was evaporated to give the titled compound (1.57 g, 66 percent) as pale yellow crystals.1H-NMR (CDCl3) δ: 2.58 (3H, s), 7.26(1H, d, J = 4.8 Hz), 8.70 (1H, d, J = 4.8 Hz). IR(KBr): 2241, 1554, 1537, 1396, 1348, 1197, 862 cm-1. |
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