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CAS No. : | 26820-34-8 | MDL No. : | MFCD16877634 |
Formula : | C7H4ClN3O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | FVZWFEILQHGLRN-UHFFFAOYSA-N |
M.W : | 197.58 | Pubchem ID : | 13240382 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 82.5 | H-Bond Acceptor Count : | 4 |
XLogP3 : | 1.8 | H-Bond Donor Count : | 0 |
SP3 : | 0.14 | Rotatable Bond Count : | 0 |
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 |
---|---|---|
80% | at 100℃; for 20.00 h; | Phosphorus oxychloride (64 mL, 689 mmol) was added to 6-dimethyl-5-nitro-2-oxo- l,2-dihydropyridine-3-carbonitrile (19.5 g, 107 mmol). To this mixture, phosphorus pentachloride (20.81 g, 100 mmol) was added and reaction mixture was heated to 100 °C for 20 h. Reaction mixture was cooled and poured in ice-water mixture. The precipitate obtained was filtered washed with water and dried to obtain 2-chloro-6-methyl-5-nitronicotinonitrile. Yield: 80 percent; *H NMR (300 MHz, DMSO-d6): δ 10.45 (s, 1H), 2.77 (s, 3H); MS (ES): m z 198.1 (M+l). |
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