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CAS No. : | 403850-89-5 | MDL No. : | MFCD11043862 |
Formula : | C9H7BrN2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 239.07 | Pubchem ID : | 135804503 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | - | H-Bond Acceptor Count : | - |
XLogP3 : | - | H-Bond Donor Count : | - |
SP3 : | - | Rotatable Bond Count : | - |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With tetrabutylammomium bromide; sodium hydroxide; In water; toluene; at 20 - 35℃; for 40.0h; | Example 8:7-Bromo-2-methyl-lH-quniazoline-4-one (200 mg, 0.84 mmol, 1.0 equiv), tetrabutylammonium bromide (30 mg, 0.09 mmol, 0.1 equiv), and iodomethane (350 uL, 5.5 mmol, 7.0 equiv) were combined in toluene (10 mL) and treated with 50% aq. NaOH (2 mL), and the resulting mixture was stirred rapidly at ambient temperature for 24 hours, after which it was heated to 35 0C for an additional 16 hours. At this point, the mixture was diluted with diethyl ether and washed with water, saturated NaHCO3 , and brine. The organic phase was dried over Na2SO4 and concentrated to give a white solid (193 mg, 0.76 mmol, 91%). This crude bromide (193 mg, 0.76 mmol) was converted, via Methods 1 and 2, to compound 8 (21 mg, 13%) which was isolated as a light yellow solid. [M-H]- = 217.1 m/z. Activity: D |
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