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| CAS No.: | 1126-09-6 |
|---|---|
| Name: | Ethyl 4-piperidinecarboxylate |
| Article Data: | 20 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H15NO2 |
| Molecular Weight: | 157.213 |
| Synonyms: | ethyl piperidine-4-carboxylate;Isonipecoticacid, ethyl ester (6CI,7CI,8CI);4-(Ethoxycarbonyl)piperidine;4-Carboethoxypiperidine;Ethyl 4-piperidinecarboxylate; |
| EINECS: | 214-416-7 |
| Density: | 1.003 g/cm3 |
| Boiling Point: | 204 °C at 760 mmHg |
| Flash Point: | 83.3 °C |
| Solubility: | miscible with water |
| Appearance: | clear colorless to slightly brown liquid |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 23-24/25-36-26 |
| PSA: | 38.33000 |
| LogP: | 0.87790 |
- 112-61-8Octadecanoic acid,methyl ester
- 112626-50-3Cyclopenta[c]pyrrole,octahydro-, hydrochloride (1:1)
- 112-62-99-Octadecenoic acid(9Z)-, methyl ester
- 112-63-09,12-Octadecadienoicacid (9Z,12Z)-, methyl ester
- 1126-34-7Benzenesulfonic acid,3-amino-, sodium salt (1:1)
- 112636-83-65-Pyrimidinecarbonitrile,4,6-diamino-2-(cyclopropylamino)-
- 112-64-1Tetradecanoyl chloride
- 112641-20-0Benzaldehyde,2-fluoro-3-(trifluoromethyl)-
- 112642-92-92-Propenamide,N-(1-hydroxy-2,2-dimethoxyethyl)-
- 112642-98-5a-D-Glucopyranoside, b-D-fructofuranosyl, labeled withtritium (9CI)
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0℃; for 48h; Reflux; | 94% |
| With sulfuryl dichloride In N,N-dimethyl-formamide at 80℃; for 6h; Inert atmosphere; | 92% |
| With thionyl chloride for 6h; Reflux; | 86.5% |
- 69001-10-1
1-acetyl-piperidine-4-carboxylic acid ethyl ester
- 1126-09-6
4-carbethoxypiperidine
| Conditions | Yield |
|---|---|
| Stage #1: 1-acetyl-piperidine-4-carboxylic acid ethyl ester With 2,6-di-tert-butyl-4-methylpyridine; trifluoromethylsulfonic anhydride In dichloromethane at -78 - 0℃; for 2h; Inert atmosphere; Stage #2: With ethylmagnesium bromide In diethyl ether; dichloromethane at -78℃; for 2h; Inert atmosphere; chemoselective reaction; | 71% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With sodium; butan-1-ol |
| Conditions | Yield |
|---|---|
| With 1,4-dioxane; nickel at 175 - 180℃; under 91938.4 Torr; Hydrogenation; | |
| With sodium tetrahydroborate; rhodium(III) chloride 40 deg C, ethanol; Yield given. Multistep reaction; | |
| With hydrogen In neat (no solvent) at 50℃; under 760.051 Torr; for 36h; Temperature; Solvent; |
- 1570-45-2
isonicotinic acid ethylester
- 71-36-3
butan-1-ol
A
- 6457-49-4
4-piperidinemethanol
B
- 1126-09-6
4-carbethoxypiperidine
- 1083159-13-0
O2-(2,4-dinitrophenyl) 1-[(4-ethoxycarbonyl)piperidin-1-yl]diazen-1-ium-1,2-diolate
- 1126-09-6
4-carbethoxypiperidine
| Conditions | Yield |
|---|---|
| With GLUTATHIONE; diethylenetriaminopentaacetic acid In dimethyl sulfoxide at 37℃; pH=7.4; aq. phosphate buffer; Inert atmosphere; |
- 1126-09-6
4-carbethoxypiperidine
- 98-88-4
benzoyl chloride
- 136081-74-8
ethyl 1-benzoyl-4-piperidine-carboxylate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 20h; Inert atmosphere; | 100% |
| With triethylamine In dichloromethane at 20℃; for 0.333333h; | 99% |
| With triethylamine In dichloromethane at 20℃; | 93% |
| Conditions | Yield |
|---|---|
| Stage #1: 4-carbethoxypiperidine With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; Stage #2: With sodium hydroxide; water In tetrahydrofuran at 20℃; for 0.5h; | 100% |
| Stage #1: 4-carbethoxypiperidine With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; Stage #2: With ethanol; water In tetrahydrofuran at 0℃; | 100% |
| With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; | 92% |
- 872-85-5
pyridine-4-carbaldehyde
- 1126-09-6
4-carbethoxypiperidine
- 138030-54-3
1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane molecular sieve; | 100% |
| Stage #1: pyridine-4-carbaldehyde; 4-carbethoxypiperidine In dichloromethane at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 5h; | 99% |
| Stage #1: pyridine-4-carbaldehyde; 4-carbethoxypiperidine In dichloromethane for 0.166667h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 23℃; for 16h; | 91% |
| With borane pyridine In ethanol | 27% |
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Chemistry
IUPAC Name: Ethyl piperidine-4-carboxylate
Synonyms of Ethyl isonipecotate (CAS NO.1126-09-6): Isonipecoticacid, ethyl ester (6CI,7CI,8CI) ; 4-(Ethoxycarbonyl)piperidine ; Ethyl 4-piperidinecarboxylate
CAS NO: 1126-09-6
Molecular Formula: C8H15NO2
Molecular Weight: 157.21
Molecular Structure: 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.448
Molar Refractivity: 41.99 cm3
Molar Volume: 156.6 cm3
Surface Tension: 32 dyne/cm
Density: 1.003 g/cm3
Flash Point: 83.3 °C
Enthalpy of Vaporization: 44.02 kJ/mol
Boiling Point: 204 °C at 760 mmHg
Vapour Pressure: 0.27 mmHg at 25°C
Water Solubility: miscible
Appearance: clear colorless to slightly brown liquid
Product Categories of Ethyl isonipecotate (CAS NO.1126-09-6): Pharmaceutical Intermediates;Piperidines, Piperidones, Piperazines;pharmacetical;AMINOACIDS DERIVATIVES;Piperidine
SMILES: O=C(OCC)C1CCNCC1
InChI: InChI=1/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3
InChIKey: RUJPPJYDHHAEEK-UHFFFAOYAB
Std. InChI: InChI=1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3
Std. InChIKey: RUJPPJYDHHAEEK-UHFFFAOYSA-N
Safety Profile
Safety Information about Ethyl isonipecotate (CAS NO.1126-09-6):
Hazard Codes:
C,
Xi
Risk Statements: 34-36/37/38
R34: Causes burns.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-36-26
S23: Do not breathe vapour.
S24/25: Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29333999
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Combustible liquid.
Extinguishing Media: Use foam, dry chemical, or carbon dioxide.
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container. Corrosives area.