5-Hydroxy-1,4-dihydropyrimidin-4-one
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5-Hydroxy-1,4-dihydropyrimidin-4-one
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CAS No:
15837-41-9
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Formula:
C4H4N2O2
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Chemical Name:
5-Hydroxy-1,4-dihydropyrimidin-4-one
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Synonyms:
4(1H)-Pyrimidinone, 5-hydroxy- (9CI);5-hydroxypyrimidin-4(1H)-one;5-Hydroxy-1,4-dihydropyrimidin-4-one;5-Hydroxy-4(1H)-pyrimidinone;4(1H)-PyriMidinone, 5-hydroxy-;5-hydroxy-3,4-dihydropyriMidin-4-one;5-HydroxypyriMidin-4(3H)-one;5-Hydroxy-1,4-dihydropyrimidin-4-one5-Hydroxy-4(1H)-pyrimidinone
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CAS No:
Characteristics
61.7
-0.9
1.55±0.1 g/cm3(Predicted)
268-269 °C (decomp)
308.6ºC at 760 mmHg
101.1±30.1 °C
1.649
0.00037mmHg at 25°C
5-Hydroxy-1,4-dihydropyrimidin-4-one Use and Manufacturing
5-Hydroxypyrimidin-4(3i)-one 6b.; To a solution of water (76 cm5-Hydroxypyrimidin-4(3i)-one 6b.; To a solution of water (76 cm3) and concentrated aqueous ammonia (7.6 cm3), 5c (11.0 g) was added followed by the addition of Raney nickel (40.0 g). The mixture was refluxed for 4 h then it was cooled and filtered. All the volatile solvents were removed by rotor-evaporator and the residue was re-dissolved in methanol. After addition of ether, pink crystals precipitated out of the solution, and were dried under vacuum at 100 0C. (2.5 g, 46 %); Mp 265-267 C;deltaH (300 MHz; DMSOd) 7.40 (IH, s), 7.67 (IH, s); Vmaxcrn'1 1640, 1600, 1360, 1300, 1270, 1100, 930, 880, 790, 780 and 615; MS(EI): m/z (%) 112 (10O5 C4H4N2O2, M+).
Computed Properties
Molecular Weight:112.09
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:112.027277375
Monoisotopic Mass:112.027277375
Topological Polar Surface Area:61.7
Heavy Atom Count:8
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Hydroxy-1,4-dihydropyrimidin-4-one
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