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CAS No. : | 500912-18-5 | MDL No. : | MFCD00671772 |
Formula : | C9H8FNO | Boiling Point : | 239.2°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 165.16 | Pubchem ID : | 2779324 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 33 | H-Bond Acceptor Count : | 3 |
XLogP3 : | 1.6 | H-Bond Donor Count : | 0 |
SP3 : | 0.22 | Rotatable Bond Count : | 2 |
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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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
46% | at 80℃; for 4 h; | To a solution of Scheme 56 compound 3 (5.7 g, 26.15 mmol) in dry EtOH (70 mL) was added NaCN (1.4 g, 28.76 mmol) and the reaction mixture was stirred at 80 °C for 4 h. After TLC showed the starting material was completely consumed, the reaction mixture was concentrated to give a crude compound which was diluted with ice water (30 mL) and extracted with EtOAc (2 x 50 mL). The organic layer was washed with brine (20 mL), dried over Na2S04 and concentrated to give a residue which was purified by column chromatography (eluting with petroleum ether/EtOAc 100/0 gradually increasing to 60/40) to give Scheme 56 compound 4 (2.0 g, 46percent) as a colorless liquid. MS [ESI, MH+] = 166.06. |
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