ChemicalBook--->CAS DataBase List--->33972-97-3

33972-97-3

33972-97-3 Structure

33972-97-3 Structure
IdentificationBack Directory
[Name]

1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
[CAS]

33972-97-3
[Synonyms]

1-Methyl-2-oxo-1,2-dihydr...
1-Methyl-2-pyridone-4-carboxylic acid
1-methyl-2-oxopyridine-4-carboxylicaci
1-methyl-2-oxopyridine-4-carboxylic acid
1-methyl-2-oxo-4-pyridinecarboxylic acid
1-Methyl-2-oxo-1,2-dihydro-4-pyridine carboxylic a
1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid
4-Pyridinecarboxylic acid, 1,2-dihydro-1-Methyl-2-oxo-
1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid(SALTDATA: FREE)
1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid ISO 9001:2015 REACH
[EINECS(EC#)]

201-525-2
[Molecular Formula]

C7H7NO3
[MDL Number]

MFCD03701415
[MOL File]

33972-97-3.mol
[Molecular Weight]

153.14
Chemical PropertiesBack Directory
[Melting point ]

260 °C
[Boiling point ]

329.6±35.0 °C(Predicted)
[density ]

1.381±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

2.75±0.20(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11)
[InChIKey]

XUKWOJNDLIOXSC-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C)C=CC(C(O)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid(33972-97-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid methyl ester

20845-23-2

1-Methylthyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

33972-97-3

GENERAL STEPS: Methyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate (1 g, 1.0 eq.) was dissolved in 25 mL of methanol and 5 mL of an aqueous solution of lithium hydroxide monohydrate (755 mg, 3.0 eq.) was added with stirring. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. An appropriate amount of water was added to the residue and the pH was adjusted to 1~3 with aqueous 3N hydrochloric acid. the resulting white solid product was collected by filtration, washed with water and dried to afford 1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid (540 mg, 60% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 13.56 (brs, 1H), 7.80 (d, J=1.2 Hz, 1H), 6.83 (d, J=1.6 Hz, 1H), 6.53 (d, J=6.8 Hz, 1H), 3.46 (s, 3H).

[References]

[1] Patent: WO2013/97773, 2013, A1. Location in patent: Paragraph 0229
[2] Patent: WO2007/67836, 2007, A2. Location in patent: Page/Page column 103
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