ChemicalBook--->CAS DataBase List--->21642-98-8

21642-98-8

21642-98-8 Structure

21642-98-8 Structure
IdentificationMore
[Name]

4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
[CAS]

21642-98-8
[Synonyms]

1,2-DIHYDRO-4-METHOXY-2-OXO-3-PYRIDINECARBONITRILE
3-CYANO-2-HYDROXY-4-METHOXYPYRIDINE
3-CYANO-4-METHOXY-2-(1H)-PYRIDINONE
3-Cyano-4-methoxyl-2-(1H)-pyridione
4-METHOXY-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
AURORA KA-6226
3-Cyano-4-methoxy1-2-(1H)-pyridione
3-Cyano-4-Methoxy1-2-(1h)-Pyridinone
3-Cyano-4-methyl-2-(1H)-pyridinone
4-Methoxy-2-oxo-1,2-Dihydro-3-
3-CYANO-4-METHONY-2-(1H)-PYRIDINONE
3-CYANO-2-HYDROXY-4-METHYOXYPYRIDINE
3-CYANO-4-METHONY-2-(1H)-PYRIDINONE,97.8+%
-TropisetronC17H2N2O2
3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-
SS-TROPISETRONC17H2N2O2
3-CYANO-4-METHOXYL-2-(1H)-PYRIDINONE
1,2-Dihydro-4-methoxy-2-oxopyridine-3-carbonitrile
[EINECS(EC#)]

800-656-5
[Molecular Formula]

C7H6N2O2
[MDL Number]

MFCD00975442
[Molecular Weight]

150.13
[MOL File]

21642-98-8.mol
Questions And AnswerBack Directory
[Synthesis]

Step 1: A mixture of malononitrile (0.33 g, 5 mmol) and trimethyl orthoformate (0.64 g, 6 mmol) was stirred at 80 °C for 1 hour. The reaction mixture was cooled to room temperature and then a methanol (10 mL) solution of N,N-dimethylformamide dicarboxylate (6 mmol) was added with stirring. The reaction mixture was refluxed for 30 minutes. After cooling, the resulting precipitate was filtered, dried and recrystallized from methanol to give pure 1,1-dicyano-2-methoxy-4-dimethylamino-1,3-butadiene as light red crystals. Yield: 76%, melting point: 130-131 °C. [1] Step 2: Acetic acid (10 mL) was added to the intermediate from the previous step (0.53 g, 3 mmol), and the temperature was increased to 125 °C until the reaction was complete, as monitored by TLC. Excess acetic acid was evaporated under vacuum to obtain crude 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile. The crude product was recrystallized from methanol to give white crystals, which were the target product.
Chemical PropertiesBack Directory
[Melting point ]

293°C
[Boiling point ]

421.8±45.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Soluble in Dimethyl sulfoxide.
[form ]

Crystalline Solid
[pka]

7.99±0.10(Predicted)
[color ]

Pale yellow
[Sensitive ]

Hygroscopic
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C7H6N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,1H3,(H,9,10)
[InChIKey]

MWGIDWPSRDMIQN-UHFFFAOYSA-N
[SMILES]

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

21642-98-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

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

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

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

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3439
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

29349990
Hazard InformationBack Directory
[Chemical Properties]

Off-white crystalline powder
[Uses]

N-Demethylricinine is a demethylated metabolite of Ricinine (R495550), an alkaloid extract from the castor-oil plant (Ricinus communalis). N-Demethylricinine is an impurity in the production of Gime racil.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile(21642-98-8)1HNMR
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