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CAS No. : | 34662-29-8 | MDL No. : | MFCD02317167 |
Formula : | C7H3ClN2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | PAIMPYHIOHKXAT-UHFFFAOYSA-N |
M.W : | 182.56 | Pubchem ID : | 14973028 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 69.6 | H-Bond Acceptor Count : | 3 |
XLogP3 : | - | H-Bond Donor Count : | 0 |
SP3 : | 0.00 | Rotatable Bond Count : | 0 |
Signal Word: | Warning | Class | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | With sodium borate In acetic acid at 50 - 62℃; for 3.00 h; | A suspension of sodium borate tetrahydrate (32.5 g, 211.2 mmol) in 195 ml of acetic acid was heated until the temperature of the reaction mixture was above 50° C. The reaction temperature was kept this way while 2-chloro-4-cyanoaniline (5.93 g, 38.9 mmol) was added in portions over 1 h. Stirring and heating were continued for 2 hours on an oil bath of 62° C. After cooling to room temperature the reaction mixture was poured into 1 L icewater. The aqueous layer was extracted with Et2O (3.x.). The combined organic layers were washed with H2O (2.x.) and dried (MgSO4). The drying agent was removed by filtration and the solvent by evaporation under reduced pressure. The residue was chromatographed (SiO2) with Et2O/petroleum ether 1/3 as eluent to give 5.27 g (74percent) of the oxidized product. |
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