4-BENZYLOXY-2(1 H)-PYRIDONE
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4-BENZYLOXY-2(1 H)-PYRIDONE
structure -
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CAS No:
53937-02-3
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Formula:
C12H11NO2
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Chemical Name:
4-BENZYLOXY-2(1 H)-PYRIDONE
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Synonyms:
4-BENZYLOXY-2(1 H)-PYRIDONE;4-(benzyloxy)pyridin-2(1h)-one;4-(Benzyloxy)-1,2-dihydropyridine-2-one;4-(Benzyloxy)pyridine-2(1H)-one;4-Benzyloxypyridin-2-one;diethyl-[2-[[2-keto-2-(o-toluidino)ethyl]-methyl-ammonio]ethyl]ammonium dichloride;diethyl-[2-[methyl-[2-(2-methylanilino)-2-oxoethyl]azaniumyl]ethyl]azanium dichloride;diethyl-[2-[methyl-[2-[(2-methylphenyl)amino]-2-oxo-ethyl]azaniumyl]ethyl]azanium dichloride
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CAS No:
4-BENZYLOXY-2(1 H)-PYRIDONE Basic Attributes
201.22
201.078979
1312995-182-4
DTXSID30394121
2933399090
Characteristics
38.3
1.4
Yellow to orange to brown Powder
1.2±0.1 g/cm3
201-203 °C(lit.)
464.3°C at 760 mmHg
234.6±28.7 °C
1.604
>30.2 [ug/mL]
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-BENZYLOXY-2(1 H)-PYRIDONE Use and Manufacturing
4-Benzyloxypyridine 1-oxide (24.8 g, 123 mmols) was refluxed in acetic anhydride (150 mL) for 1.5 hours. Cooling the system to room temperature, the system was concentrated under reduced pressure and the resulting residue was dissolved in a mixed solvent of ethyl acetate (150 mL) and methanol (10 mL), followed by stirring at 60°C for 2 hours. The solid formed upon cooling the system to room temperature was recovered by filtration to provide crude title compound (8.84 g). Concentrating the filtrate, additional crude title compound (4.17 g) was obtained. The combined crude product was recrystallized from a mixed solvent of methanol and ethyl acetate to provide the title compound (12.1 g, 49percent).
Computed Properties
Molecular Weight:201.22
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:201.078978594
Monoisotopic Mass:201.078978594
Topological Polar Surface Area:38.3
Heavy Atom Count:15
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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