4-Pyrimidinecarboxaldehyde,oxime(7CI,8CI,9CI)

To a solution of 3.549 g (28.82 mmol) To a solution of 3.549 g (28.82 mmol) 9.14 g (97.11 mmol) of 4-methylpyrimidine was slowly addedto a 0C solution of 8.75 g HC1 in 40 ml EtOH. To thiswhite suspension was added, over 5 min, 61 ml of a 10-20% byweight solution of ethyl nitrite in EtOH. The reaction wasstirred at 0 C for 10 min and then at RT for 2.5 h. Thewhite salt was filtered and dried under vacuum. The saltwas dissolved into 20 ml H20 and very slowly treated withabout 200 ml saturated aqueous KHC03. A white solidprecipitated out of the purple solution. The solid wasfiltered and dried under vacuum to yield the titledcompound.9.14 g (97.11 mmol) of 4-methylpyrimidine was slowly added to a 0 C. solution of 8.75 g HCl in 40 ml EtOH. To this white suspension was added, over 5 min, 61 ml of a 10-20% by weight solution of ethyl nitrite in EtOH. The reaction was stirred at 0 C. for 10 min and at RT for 2.5 h. The white salt was filtered and dried under vacuum. The salt was dissolved into 20 ml H2O and very slowly treated with about 200 ml sat. aq. KHCO3. A white solid precipitated out of the purple solution. The solid was filtered and dried under vacuum to yield the titled compound.

Molecular Weight:123.11
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:123.043261792
Monoisotopic Mass:123.043261792
Topological Polar Surface Area:58.4
Heavy Atom Count:9
Complexity:104
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes