ChemicalBook--->CAS DataBase List--->1003-56-1

1003-56-1

1003-56-1 Structure

1003-56-1 Structure
IdentificationMore
[Name]

3-Methyl-2-pyridone
[CAS]

1003-56-1
[Synonyms]

2-HYDROXY-3-METHYLPYRIDINE
3-METHYL-1,2-DIHYDROPYRIDIN-2-ONE
3-METHYL-2-PYRIDINONE
3-METHYL-2-PYRIDONE
AKOS BBS-00002968
2(1H)-Pyridinone, 3-methyl-
2(1H)-Pyridone, 3-methyl-
3-Methyl-2-pyridinol
2-HYDROXY-3-METHYLPYRIDINE 97%
2-Hydroxy-3-Piocoline
3-Methyl-2-pyridone, 98+%
2-Hydroxy-3-picoline
3-METHYL-2-PYRIDONE, 97+%
2-HYDROXY-3-METHYLPYRIDINE (2-HYDROXY-3-PICOLINE)
3-Methyl-1,2-dihydropyridine-2-one
3-Methyl-2(1H)-pyridinone
3-Methyl-2(1H)-pyridone
3-Methylpyridin-2(1H)-one
[EINECS(EC#)]

213-710-2
[Molecular Formula]

C6H7NO
[MDL Number]

MFCD00039704
[Molecular Weight]

109.13
[MOL File]

1003-56-1.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow needles
[Melting point ]

139-141 °C
[Boiling point ]

204.59°C (rough estimate)
[density ]

1.1143 (rough estimate)
[refractive index ]

1.5444 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in methanol.
[form ]

powder to crystal
[pka]

12.61±0.10(Predicted)
[color ]

White to Orange to Green
[BRN ]

1422044
[InChI]

InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
[InChIKey]

MVKDNXIKAWKCCS-UHFFFAOYSA-N
[SMILES]

C1(=O)NC=CC=C1C
[CAS DataBase Reference]

1003-56-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2(1H)-pyridinone, 3-methyl-(1003-56-1)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Corrosion (GHS05)Exclamation Mark (GHS07)
GHS06,GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H301-H319-H302-H315-H318-H335
[Precautionary statements ]

P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29333990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Hydroxypyridine-->2-Bromo-3-methylpyridine-->Dicumyl peroxide-->Potassium tert-butoxide-->2-Methyl-2-butanol
[Preparation Products]

2-Chloro-3-methylpyridine-->2-Bromo-3-methylpyridine
Hazard InformationBack Directory
[Chemical Properties]

Light yellow needles
[Uses]

3-Methyl-2-pyridone, is used as a reactant with chloro-methoxy-methane to produce 1-methoxymethyl-3-methyl-1H-pyridin-2-one. This reaction will need reagent solvent CH2Cl2. The reaction time is 24 hours with ambient temperature
[Definition]

ChEBI: 3-Methyl-1,2-dihydropyridin-2-one is a member of methylpyridines.
[Synthesis]

2-Bromo-3-methylpyridine

3430-17-9

3-Methyl-2-pyridone

1003-56-1

GENERAL METHOD: In a dry Schlenk tube, 2-bromo-3-methylpyridine (5.98 g, 35.0 mmol) was dissolved in 100 mL of ammonia (Am-OH) and potassium tert-butanol (KOt-Bu, 39.3 g, 350.0 mmol) was added. The reaction mixture was stirred at 100 °C for 40 hours. After completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was dissolved in 50 mL of formic acid (HCO2H) and stirred at room temperature for 24 hours. Subsequently, the pH was adjusted to about 6 using 3N aqueous potassium hydroxide (KOH). extraction was carried out with chloroform (CHCl3, 3 x 50 mL), the organic phases were combined and washed with saturated saline, dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated. The crude product was purified by column chromatography (eluent: 8% methanol/dichloromethane) to afford the target product 2-hydroxy-3-methylpyridine (1) as a white solid with a yield of 2.75 g in 72% yield.

[References]

[1] Synlett, 2015, vol. 26, # 11, p. 1557 - 1562
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyl-2-pyridone(1003-56-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Hydroxy-3-methylpyridine, 97%(1003-56-1)
[Alfa Aesar]

3-Methyl-2-pyridone, 97+%(1003-56-1)
[Sigma Aldrich]

1003-56-1(sigmaaldrich)
[TCI AMERICA]

3-Methyl-2-pyridinone,>98.0%(GC)(1003-56-1)
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