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CAS No.: | 4241-27-4 |
---|---|
Name: | 3-Cyano-6-methyl-2(1H)-pyridinone |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C7H6 N2 O |
Molecular Weight: | 134.137 |
Synonyms: | Nicotinonitrile,1,2-dihydro-6-methyl-2-oxo- (6CI,7CI,8CI);1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile;2-Hydroxy-6-methylnicotinonitrile; 2-Hydroxy-6-methylpyridine-3-carbonitrile;3-Cyano-2-hydroxy-6-methylpyridine; 3-Cyano-6-methyl-2(1H)-pyridinone;3-Cyano-6-methyl-2(1H)-pyridone; 3-Cyano-6-methyl-2-pyridinone;3-Cyano-6-methyl-2-pyridone; 6-Methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile;NSC 15124 |
EINECS: | 224-202-5 |
Density: | 1.2 g/cm3 |
Melting Point: | 293-295 ºC |
Boiling Point: | 341.4 °C at 760 mmHg |
Flash Point: | 160.3 °C |
Solubility: | 2.38 g/L (20 ºC) in water |
Appearance: | SLIGHTLY YELLOW GRANULAR CRYSTALLINE POWDER |
Hazard Symbols: | |
Risk Codes: | R20/21/22;R36/37/38 |
Safety: | S22;S26;S36/37/39 |
PSA: | 56.65000 |
LogP: | 0.55498 |
4-chloro-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 20℃; | 88% |
acetylacetaldehyde dimethyl acetal
cyanoacetic acid amide
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
With piperdinium acetate In water for 24h; Reflux; | 87.4% |
With piperidinyl acetate at 80℃; for 24h; | 80% |
With piperdinium acetate at 80℃; for 24h; | 73% |
3-oxo-butyraldehyde; sodium enolate
cyanoacetic acid amide
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
With piperdinium acetate at 100℃; for 2h; | 75% |
acetone
cyanoacetic acid amide
formic acid ethyl ester
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
Stage #1: acetone; formic acid ethyl ester With sodium methylate In tetrahydrofuran at 0 - 20℃; for 2h; Stage #2: cyanoacetic acid amide With piperidine; acetic acid In tetrahydrofuran; water for 2h; Reflux; | 61% |
Stage #1: acetone; formic acid ethyl ester With sodium In diethyl ether at 20℃; Cooling with ice; Stage #2: cyanoacetic acid amide In diethyl ether at 20℃; for 0.1h; Stage #3: With piperidine; water; acetic acid In diethyl ether for 2h; Reflux; | 58% |
Stage #1: acetone; formic acid ethyl ester With sodium methylate In diethyl ether at 0 - 20℃; for 2h; Stage #2: cyanoacetic acid amide With piperdinium acetate In water for 2h; Heating / reflux; | 49% |
3-oxo-butyraldehyde; sodium (Z)-1-enolate
cyanoacetic acid amide
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
With piperdinium acetate In water for 0.166667h; Cycloaddition; Heating; | 58% |
5-cyano-2-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
With copper In quinoline for 3h; Heating; | 57% |
1-cyanoformamide
acetylacetaldehyde dimethyl acetal
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
With piperdinium acetate for 24h; pH=9.5; Heating; | 57% |
piperidine
cyanoacetic acid amide
formic acid ethyl ester
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
With sodium methylate; piperdinium acetate; acetic acid In diethyl ether; water; acetone | 49% |
With sodium methylate; piperdinium acetate; acetic acid In diethyl ether; water; acetone | 49% |
With sodium methylate; piperdinium acetate; acetic acid In diethyl ether; water; acetone | 49% |
With sodium methylate; piperdinium acetate; acetic acid In diethyl ether; water; acetone | 49% |
Conditions | Yield |
---|---|
In water for 2h; Heating; Yield given; |
2-amino-6-methyl-4-oxo-4H-pyran-3-carbonitrile
1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 87 percent / HCl / H2O / 4 h / Heating 2: 75 percent / POCl3; PCl5 / CHCl3 / 6 h / Heating 3: 88 percent / H2 / Pd-C / methanol / 20 °C View Scheme |
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IUPAC Name: 6-methyl-2-oxo-1H-pyridine-3-carbonitrile
Empirical Formula: C7H6N2O
Molecular Weight: 134.1353g/mol
EINECS: 224-202-5
Structure of 3-Pyridinecarbonitrile,1,2-dihydro-6-methyl-2-oxo- (CAS NO.4241-27-4):
Melting Point: 293-295 °C
Water Solubility: 2.38 g/L (20 ºC)
Product Categories: Boron, Nitrile, Thio,& TM-Cpds;Heterocycles;Pyridine
Chemical Properties: SLIGHTLY YELLOW GRANULAR CRYSTALLINE POWDER
Canonical SMILES: CC1=CC=C(C(=O)N1)C#N
InChI: InChI=1S/C7H6N2O/c1-5-2-3-6(4-8)7(10)9-5/h2-3H,1H3,(H,9,10)
InChIKey: FIMGYEKEYXUTGD-UHFFFAOYSA-N
Hazard Codes: Xn,Xi
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-26-22-36
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.
RIDADR: 3276
PackingGroup: III
3-Pyridinecarbonitrile,1,2-dihydro-6-methyl-2-oxo- , its cas register number is 4241-27-4. It also can be called NSC 15124 ; 1,2-Dihydro-6-methyl-2-oxonicotinonitrile ; Nicotinonitrile, 1,2-dihydro-6-methyl-2-oxo- (8CI) . 3-Pyridinecarbonitrile,1,2-dihydro-6-methyl-2-oxo- (CAS NO.4241-27-4) is irritating to eyes, respiratory system and skin. And it's also harmful by inhalation, in contact with skin and if swallowed. So you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.