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127838-58-8

127838-58-8 Structure

127838-58-8 Structure
IdentificationBack Directory
[Name]

2(1H)-Pyridinone,4-(hydroxymethyl)-(9CI)
[CAS]

127838-58-8
[Synonyms]

2-Hydroxypyridine-4-methanol
4-(Hydroxymethyl)-2(1H)-p...
4-(Hydroxymethyl)pyridin-2-ol
2-Hydroxy-4-(methanol)pyridine
4-(Hydroxymethyl)pyridin-2(1H)-one
4-(HydroxyMethyl)-2(1H)-pyridinone
4-(hydroxymethyl)-1H-pyridin-2-one
2(1H)-Pyridinone, 4-(hydroxymethyl)-
2(1H)-Pyridinone,4-(hydroxymethyl)-(9CI)
4-(hydroxymethyl)-1,2-dihydropyridin-2-one
[Molecular Formula]

C6H7NO2
[MDL Number]

MFCD17015983
[MOL File]

127838-58-8.mol
[Molecular Weight]

125.125
Chemical PropertiesBack Directory
[Melting point ]

144-145 °C
[Boiling point ]

428.0±27.0 °C(Predicted)
[density ]

1.225±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

11.67±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H335-H319-H302
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

2(1H)-Pyridinone,4-(hydroxymethyl)-(9CI)(127838-58-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 1,2-dihydro-2-oxopyridine-4-carboxylate

89937-77-9

2(1H)-Pyridinone,4-(hydroxymethyl)-(9CI)

127838-58-8

General procedure for the synthesis of 4-(hydroxymethyl)pyridin-2(1H)-one from methyl 2-hydroxypyridine-4-carboxylate: to an anhydrous tetrahydrofuran (23 mL) suspension of methyl 2-methoxy-1,2-dihydro-4-pyridinecarboxylate (1.37 g, 8.98 mmol) was added slowly and dropwise 2 M lithium borohydride/tetrahydrofuran solution (22.5 mL, 45 mmol). The reaction mixture was heated to 55 °C and maintained for 3.5 h under nitrogen protection. Upon completion of the reaction, methanol (15 mL) and water (3 mL) were carefully added, followed by stirring for 30 min at room temperature. The mixture was concentrated and methanol (10 mL) was again carefully added. After continued stirring for 30 min, the mixture was adsorbed onto silica gel and purified by silica gel column chromatography using a 0 to 30% methanol-dichloromethane gradient elution to afford the target product, 4-(hydroxymethyl)pyridin-2(1H)-one, as an off-white solid (0.99 g, 88% yield). The structure of the product was confirmed by 1H NMR (400 MHz, DMSO-d6): δ 11.29 (br s, 1H), 7.23 (d, J = 6.7 Hz, 1H), 6.21 (s, 1H), 6.03 (dd, J = 6.7, 1.3 Hz, 1H), 5.27 (t, J = 5.9 Hz, 1H), 4.28 (d, J = 5.9 Hz, 2H).

[References]

[1] Patent: WO2009/76387, 2009, A1. Location in patent: Page/Page column 30
[2] Patent: WO2014/31936, 2014, A2. Location in patent: Paragraph 0344; 0345
[3] Chemical and Pharmaceutical Bulletin, 1990, vol. 38, # 1, p. 288 - 290
[4] Patent: US2003/220241, 2003, A1
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