5-Fluoro-4(3H)-pyrimidinone
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5-Fluoro-4(3H)-pyrimidinone
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CAS No:
671-35-2
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Formula:
C4H3FN2O
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Chemical Name:
5-Fluoro-4(3H)-pyrimidinone
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Synonyms:
4(3H)-Pyrimidinone,5-fluoro-;4(1H)-Pyrimidinone,5-fluoro-;4-Pyrimidinol,5-fluoro-;5-Fluoro-4(3H)-pyrimidinone;4-Hydroxy-5-fluoropyrimidine;5-Fluoro-4-hydroxypyrimidine;Fluoxydine;5-Fluoro-4-pyrimidinol;Fluoxidine;NSC 529068;Fluoxydin;5-Fluoropyrimidin-4(3H)-one
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CAS No:
5-Fluoro-4(3H)-pyrimidinone Basic Attributes
114.08
114.08
XB4K113EL0
529068
DTXSID90217403
2933599090
Characteristics
41.5
0.32130
1.46 g/cm3
204-205 °C @ Solvent: Water
200.5ºC at 760 mmHg
81.6ºC
1.369
5-Fluoro-4(3H)-pyrimidinone Use and Manufacturing
Derived by condensation reaction of ethyl fluoroacetate. Add sodium methoxide into a dry reaction pot, add ethyl formate to remove the free alkali in sodium methoxide. The methanol was distilled out under normal pressure with stirring, and then distilled under reduced pressure until the sodium methoxide became a white powder, the temperature was lowered to 50°C, and toluene was added. The temperature was lowered to 10°C and ethyl formate was added dropwise. After addition, add ethyl fluoroacetate dropwise while keeping below 10°C. After the addition, react at 20-25°C for 7h, then drop below 10°C, add anhydrous methanol and formamidine acetate, stir until the reactants solidify, and let stand overnight. Add hydrochloric acid and slowly heat to dissolve the cured product. After filtration, the filtrate is evaporated under normal pressure to remove part of the liquid, cooled to crystallize, and filtered to obtain a crude product. Recrystallize with absolute ethanol and decolorize activated carbon to obtain 5-fluoro-4-hydroxypyrimidine.
This product is an anti-tumor drug.
Computed Properties
Molecular Weight:114.08
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:114.02294089
Monoisotopic Mass:114.02294089
Topological Polar Surface Area:41.5
Heavy Atom Count:8
Complexity:173
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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