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| CAS No.: | 1122-62-9 |
|---|---|
| Name: | 2-Acetylpyridine |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7NO |
| Molecular Weight: | 121.139 |
| Synonyms: | FEMA 3251;2-Acetopyridine;1-(2-Pyridinyl)ethanone;Ethanone, 1-(2-pyridinyl)-;1-pyridin-2-ylethanone;Methyl 2-pyridyl ketone;Ketone, methyl 2-pyridyl;2-Acetylpyridine (natural);2-Pyridyl methyl ketone;2-Acetyl pyridine;Acetyl Pyridine; |
| EINECS: | 214-355-6 |
| Density: | 1.06 g/cm3 |
| Melting Point: | 8-10 ºC |
| Boiling Point: | 192.8 ºC at 760 mmHg |
| Flash Point: | 73.3 ºC |
| Solubility: | Soluble in water (18.2 g/100g @ 25C). Soluble in and acetate. Slightly soluble in carbon tetrachloride. |
| Appearance: | clear colorless to slightly brown liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-38 |
| Safety: | 26-36-37 |
| PSA: | 29.96000 |
| LogP: | 1.28420 |
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| Conditions | Yield |
|---|---|
| With cis-Cyclooctene; trans-dioxo(5,10,15,20-tetramesitylporphirinato)ruthenium(VI) In benzene at 80℃; for 15h; | 99% |
- 1122-62-9
2-acetylpyridine
| Conditions | Yield |
|---|---|
| With sodium hydroxide; water at 20℃; Decarboxylation; Ring cleavage; | 99% |
| Conditions | Yield |
|---|---|
| With Oxone; water; potassium hydrogencarbonate In acetone for 0.5h; Heating; | 96% |
| With sulfuric acid; silica gel In hexane for 1.5h; |
- 20988-55-0, 18728-61-5, 27911-63-3, 59042-90-9
1-(pyridine-2-yl)ethanol
- 1122-62-9
2-acetylpyridine
| Conditions | Yield |
|---|---|
| With 9-azabicyclo[3.3.1]nonan-3-one N-oxyl oxide; oxygen; nitric acid; sodium nitrite In acetonitrile at 20℃; under 760.051 Torr; for 3h; Reagent/catalyst; Solvent; | 94% |
| With Langlois reagent In acetonitrile at 25℃; for 12h; Irradiation; Sealed tube; | 93% |
| With (NH4)4[CuMo6O18(OH)6]·5H2O; oxygen; sodium chloride In water; acetonitrile at 60℃; for 24h; | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: methyllithium With copper(l) cyanide In diethyl ether at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: 2-Picolinic acid In diethyl ether at 0 - 20℃; for 15h; Inert atmosphere; | 94% |
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide In water; acetonitrile at 50℃; for 15h; Electrolysis; | 93% |
| With pyridine; N-hydroxyphthalimide; tetrabutylammonium perchlorate In acetone; acetonitrile at 50℃; Electrochemical reaction; | 89% |
| With pyridine; N-hydroxyphthalimide; oxygen; tetrabutylammonium dihydrogen phosphate In acetone; acetonitrile at 50℃; under 760.051 Torr; for 18h; Reagent/catalyst; Solvent; Heating; | 82% |
- 123440-85-7
t-butyl 3-oxo-3-(2-pyridyl)propanoate
- 1122-62-9
2-acetylpyridine
| Conditions | Yield |
|---|---|
| With sulfuric acid at 60 - 70℃; for 8h; Reagent/catalyst; | 92.6% |
| Conditions | Yield |
|---|---|
| With C20H14AuN2O2(1+)*Cl(1-); water; trifluoroacetic acid In methanol at 80℃; for 5h; Sealed tube; | 92% |
| With Ag3STA; water at 100℃; for 6h; neat (no solvent); regioselective reaction; | 88% |
| With water; silver trifluoromethanesulfonate for 10h; Heating; | 82% |
| Conditions | Yield |
|---|---|
| In benzene for 0.5h; Ambient temperature; | 91% |
- 1758-54-9, 79462-42-3, 81563-77-1
1-pyridin-2-yl-ethanone oxime
- 1122-62-9
2-acetylpyridine
| Conditions | Yield |
|---|---|
| With tetrachlorosilane; silica gel In hexane; water for 0.42h; Heating; | 90% |
| With molybdenum(V) chloride; zinc In acetonitrile at 20℃; for 0.5h; | 85% |
| With [bis(acetoxy)iodo]benzene In dichloromethane for 0.5h; Ambient temperature; | 61% |
| With oxygen In acetonitrile at 27 - 37℃; under 760.051 Torr; for 7h; Irradiation; | 100 %Chromat. |
| With oxygen In acetonitrile under 760.051 Torr; for 48h; Irradiation; | 38 %Chromat. |
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Chemistry
Molecular Structure of 2-Acetylpyridine (CAS NO.1122-62-9):
.gif)
IUPAC Name: 1-Pyridin-2-ylethanone
Molecular Formula: C7H7NO
Molecular Weight: 121.13
EINECS: 214-355-6
FEMA: 3251
XLogP3: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Melting Point: 8-10 °C
Index of Refraction: 1.513
Molar Refractivity: 34.37 cm3
Molar Volume: 114.1 cm3
Surface Tension: 39.6 dyne/cm
Density: 1.06 g/cm3
Flash Point: 73.3 °C
Enthalpy of Vaporization: 42.9 kJ/mol
Boiling Point: 192.8 °C at 760 mmHg
Vapour Pressure: 0.481 mmHg at 25 °C
Appearance: clear colorless to slightly brown liquid
Classification Code: Mutation data; Tumor data
Canonical SMILES: CC(=O)C1=CC=CC=N1
InChI: InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N
Product Categories: ACETYLGROUP; Carbonyl Compounds; Heterocycles; Pyridines derivates; pyridine Flavor
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 1gm/kg (1000mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
| rat | LD50 | oral | 2280mg/kg (2280mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975. |
Safety Profile
Moderately toxic by ingestion. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
Safety Information of 2-Acetylpyridine (CAS NO.1122-62-9):
Hazard Codes: 
Xi
Risk Statements: 36/37/38-38
R36/37/38:Irritating to eyes, respiratory system and skin.
R38:Irritating to skin.
Safety Statements: 26-36-37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37:Wear suitable gloves.
WGK Germany: 3
RTECS: OB5310000
F: 8
Hazard Note: Irritant
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
2-Acetylpyridine (CAS NO.1122-62-9), its Synonyms are 1-(2-Pyridinyl)ethanone ; 2-Acetylpyridine (natural) ; 2-Pyridyl methyl ketone ; Ketone, methyl 2-pyridyl ; Methyl 2-pyridyl ketone ; Ethanone, 1-(2-pyridinyl)- .