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CAS No.: | 5005-36-7 |
---|---|
Name: | alpha-Phenyl-2-pyridineacetonitrile |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C13H10N2 |
Molecular Weight: | 194.236 |
Synonyms: | 2-Phenyl-2-(2-pyridyl)acetonitrile;2-Pyridylphenylacetonitrile;NSC 16276;Phenyl(pyridin-2-yl)acetonitrile;a-Phenyl-a-(2-pyridyl)acetonitrile; |
EINECS: | 225-677-1 |
Density: | 1.124 g/cm3 |
Melting Point: | 83-85 °C |
Boiling Point: | 322.3 °C at 760 mmHg |
Flash Point: | 115.2 °C |
Appearance: | Off-White Crystalline Solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 36.68000 |
LogP: | 2.73708 |
Conditions | Yield |
---|---|
With potassium tert-butylate; palladium diacetate; nixantphos In 1,4-dioxane at 60℃; for 10h; Inert atmosphere; Sealed tube; | 97% |
Conditions | Yield |
---|---|
With sodium amide In toluene at 0 - 30℃; for 17h; | 90% |
With sodium amide In toluene at 20℃; for 2h; Reagent/catalyst; Solvent; Inert atmosphere; | 84.2% |
With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 110℃; for 0.0166667h; microwave irradiation; | 68% |
Conditions | Yield |
---|---|
In ethyl acetate; toluene | 90% |
In ethyl acetate; toluene | 90% |
In ethyl acetate; toluene | 90% |
Conditions | Yield |
---|---|
With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 110℃; for 0.0166667h; microwave irradiation; | 73% |
With potassium hydroxide In dimethyl sulfoxide at 50℃; for 14h; | 60.4% |
With potassium tert-butylate; Aliquat 336 at 85℃; for 1h; | 52% |
Conditions | Yield |
---|---|
With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 110℃; for 0.0166667h; microwave irradiation; | 68% |
Conditions | Yield |
---|---|
With potassium tert-butylate In 1-methyl-pyrrolidin-2-one at 110℃; for 0.0166667h; microwave irradiation; | 67% |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran Product distribution; Heating; var. methoxy-N-heteroaromatics; | 39% |
With sodium hydride 1.) THF, reflux, 30 min, 2.) reflux; Yield given. Multistep reaction; |
2,6-Dibromopyridine
phenylacetonitrile
A
phenyl-pyridin-2-yl-acetonitrile
B
2-bromo-6-(α-cyanobenzyl)pyridine
C
2,6-bis(α-cyanobenzyl)pyridine
Conditions | Yield |
---|---|
With potassium amide In ammonia for 0.25h; Irradiation; | A n/a B 34% C 36% |
2-bromo-pyridine
phenylacetonitrile
A
phenyl(pyridin-2-yl)methanone
B
phenyl-pyridin-2-yl-acetonitrile
Conditions | Yield |
---|---|
With ammonia; potassium; ferric nitrate 1.) 30 min, 2.) ether, irradiated 1.5h; Yield given. Multistep reaction. Yields of byproduct given; | |
With ammonia; potassium; ferric nitrate 1.) 30 min, 2.)ether, irradiating 1.5h; Yield given. Multistep reaction. Yields of byproduct given; |
A
phenyl-pyridin-2-yl-acetonitrile
B
N,N-dimethyl(methylene)ammonium chloride
Conditions | Yield |
---|---|
Product distribution; |
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Molecular structure of alpha-Phenylpyridine-2-acetonitrile (CAS NO.5005-36-7) is:
Product Name: alpha-Phenylpyridine-2-acetonitrile
CAS Registry Number: 5005-36-7
IUPAC Name: 2-phenyl-2-pyridin-2-ylacetonitrile
Molecular Weight: 194.2319 [g/mol]
Molecular Formula: C13H10N2
XLogP3: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 225-677-1
Melting Point: 83-85 °C
Index of Refraction: 1.589
Molar Refractivity: 58.2 cm3
Molar Volume: 172.6 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.124 g/cm3
Flash Point: 115.2 °C
Enthalpy of Vaporization: 56.41 kJ/mol
Boiling Point: 322.3 °C at 760 mmHg
Vapour Pressure: 0.000283 mmHg at 25°C
Product Categories: Aromatics Compounds;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
alpha-Phenylpyridine-2-acetonitrile (CAS NO.5005-36-7) can be used to make the major metabolite of Antigastrin, a-Phenyl-a-(2-pyridyl)thioacetamide (SC 15396) and other thioamides .
Safty information about alpha-Phenylpyridine-2-acetonitrile (CAS NO.5005-36-7) is:
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
alpha-Phenylpyridine-2-acetonitrile , its cas register number is 5005-36-7. It also can be called 2-Pyridineacetonitrile,a-phenyl- ; phenyl(pyridin-2-yl)acetonitrile ; 2-Phenyl-2-pyridylacetonitrile .It is a off-white crystalline solid.