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| CAS No.: | 614-18-6 |
|---|---|
| Name: | Ethyl nicotinoate |
| Molecular Structure: | |
|
|
|
| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | Nicotinicacid, ethyl ester (6CI,8CI);3-(Ethoxycarbonyl)pyridine;3-Carbethoxypyridine;Ethyl 3-pyridinecarboxylate;Ethyl nicotinate;Ignicut;Ignocut;Mucotherm;Nicaethan;Nikethan;Nikithan;b-Pyridinecarboxylic acid ethyl ester; |
| EINECS: | 210-370-7 |
| Density: | 1.102 g/cm3 |
| Melting Point: | 8-10 °C(lit.) |
| Boiling Point: | 224 °C at 760 mmHg |
| Flash Point: | 93.3 °C |
| Solubility: | Miscible with water |
| Appearance: | clear colourless to yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41-36/38-36/37/38 |
| Safety: | 26-39-37/39-36 |
| PSA: | 39.19000 |
| LogP: | 1.25830 |
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- 1120-90-7
3-iodopyridine
- 64-17-5
ethanol
- 201230-82-2
carbon monoxide
- 614-18-6
3-pyridinecarboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium diacetate at 20 - 125℃; under 7500.75 - 22502.3 Torr; for 0.333333h; microwave irradiation; | 98% |
| With 1,8-diazabicyclo[5.4.0]undec-7-ene at 80℃; under 760.051 Torr; for 6h; | 94% |
| With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene at 120℃; under 9308.91 Torr; | |
| With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene at 120℃; under 8274.59 - 10136.4 Torr; | 88 %Spectr. |
| With palladium diacetate; potassium carbonate at 60℃; under 20521.4 Torr; for 12h; Green chemistry; chemoselective reaction; | 21 %Spectr. |
- 626-55-1
3-Bromopyridine
- 64-17-5
ethanol
- 201230-82-2
carbon monoxide
- 614-18-6
3-pyridinecarboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine at 70℃; under 760.051 Torr; for 3h; Catalytic behavior; | 98% |
| Conditions | Yield |
|---|---|
| With sulfuric acid In toluene at 55℃; for 4h; | 97.2% |
| With sulfuric acid for 10h; Reflux; Sealed tube; | 83% |
| With sulfuric acid for 4h; Reflux; | 81% |
| Conditions | Yield |
|---|---|
| With cesium fluoride In acetonitrile for 2h; Heating; | 92% |
- 1701-72-0
1-(pyridin-3-yl)pentan-1-one
- 383-63-1
ethyl trifluoroacetate,
A
- 614-18-6
3-pyridinecarboxylic acid ethyl ester
B
- 360-34-9
1,1,1-trifluoro-2-hexanone
| Conditions | Yield |
|---|---|
| Stage #1: ethyl trifluoroacetate, With sodium hydride In tetrahydrofuran at 20℃; for 0.166667h; Inert atmosphere; Schlenk technique; Stage #2: 1-(pyridin-3-yl)pentan-1-one In tetrahydrofuran at 0℃; for 2.5h; Inert atmosphere; Schlenk technique; Reflux; Stage #3: With hydrogenchloride In tetrahydrofuran; water at 0℃; for 0.25h; Inert atmosphere; Schlenk technique; | A 92% B n/a |
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dicobalt octacarbonyl
- 64-17-5
ethanol
- 614-18-6
3-pyridinecarboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate at 50℃; for 12h; Schlenk technique; Inert atmosphere; chemoselective reaction; | 91% |
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dicobalt octacarbonyl
- 64-17-5
ethanol
- 107658-27-5
pyridin-3-yl trifluoromethanesulfonate
- 614-18-6
3-pyridinecarboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate at 50℃; for 12h; Schlenk technique; Inert atmosphere; chemoselective reaction; | 90% |
- 1120-90-7
3-iodopyridine
- 64-17-5
ethanol
- 13939-06-5, 199620-15-0
molybdenum hexacarbonyl
- 614-18-6
3-pyridinecarboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With C35H20F34NO3(1-)*Pd(2+)*Cl(1-); N-ethyl-N,N-diisopropylamine In neat (no solvent) at 130℃; for 0.333333h; Microwave irradiation; | 89% |
- 14906-63-9
1-oxy-nicotinic acid ethyl ester
- 614-18-6
3-pyridinecarboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With cerium(III) chloride heptahydrate; zinc In methanol at 20℃; for 2.5h; | 87% |
| Conditions | Yield |
|---|---|
| microwave irradiation; | 86% |
| In toluene at 110℃; for 24h; | 81% |
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Chemistry
Molecular Structure of Ethyl nicotinoate (CAS NO.614-18-6):
IUPAC Name:ethyl pyridine-3-carboxylate
Molecular Formula: C8H9NO2
Molecular Weight: 151.162560 g/mol
Melting Point: 8-10 °C(lit.)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 39.19 Å2
Index of Refraction: 1.506
Molar Refractivity: 40.75 cm3
Molar Volume: 137 cm3
Surface Tension: 40.6 dyne/cm
Density: 1.102 g/cm3
Flash Point: 93.3 °C
Enthalpy of Vaporization: 46.05 kJ/mol
Boiling Point: 224 °C at 760 mmHg
Vapour Pressure: 0.0934 mmHg at 25°C
Storage temp: 2-8°C
Water Solubility: miscible
Chemical Properties: clear colourless to yellow liquid
Synonyms of Ethyl nicotinoate(CAS NO.614-18-6): nicotinic acid ethyl ester ; ethyl 3-pyridinecarboxylate ; ethyl pyridine-3-carboxylate ; ethyl nicotinate ; ethyl nicotinoate ; 3-pyridinecarboxylic acid ethyl ester ; 3-(ethoxycarbonyl)pyridine
Safety Profile
Safety Information of Ethyl nicotinoate(CAS NO.614-18-6):
Hazard Codes: 
Xi
Risk Statements: 37/38-41-36/38-36/37/38
37/38:Irritating to respiratory system and skin
41:Risk of serious damage to eyes
36/38:Irritating to eyes and skin
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-39-37/39-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
39:Wear eye/face protection
37/39:Wear suitable gloves and eye/face protection
36:Wear suitable protective clothing
Specification
Ethyl nicotinoate (CAS NO.614-18-6) should be stored in a cool and a tightly closed container, can be used in organic synthesis.