-
Name
Ethyl 4-piperidinecarboxylate
- EINECS 214-416-7
- CAS No. 1126-09-6
- Article Data20
- CAS DataBase
- Density 1.003 g/cm3
- Solubility miscible with water
- Melting Point
- Formula C8H15NO2
- Boiling Point 204 °C at 760 mmHg
- Molecular Weight 157.213
- Flash Point 83.3 °C
- Transport Information
- Appearance clear colorless to slightly brown liquid
- Safety 23-24/25-36-26
- Risk Codes 34-36/37/38
-
Molecular Structure
-
Hazard Symbols
C,
Xi
- Synonyms ethyl piperidine-4-carboxylate;Isonipecoticacid, ethyl ester (6CI,7CI,8CI);4-(Ethoxycarbonyl)piperidine;4-Carboethoxypiperidine;Ethyl 4-piperidinecarboxylate;
- PSA 38.33000
- LogP 0.87790
Synthetic route
| 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 |
-
-
1570-45-2
isonicotinic acid ethylester
-
A
-
6457-49-4
4-piperidinemethanol
-
B
-
1126-09-6
4-carbethoxypiperidine
| 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% |
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In water; acetic acid at 20℃; under 2999.46 Torr; for 3.5h; | 100% |
| Stage #1: 4-carbethoxypiperidine; formaldehyd With hydrogen; acetic acid; palladium 10% on activated carbon In water at 20℃; under 2999.54 Torr; for 3.5h; Cooling with ice; Stage #2: With sodium hydroxide In water pH=11; Cooling; | 100% |
| Stage #1: 4-carbethoxypiperidine; formaldehyd With hydrogen; acetic acid; palladium 10% on activated carbon In water at 20℃; under 2999.54 Torr; for 3.5h; Stage #2: With sodium hydroxide In water pH=11; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
24424-99-5
di-tert-butyl dicarbonate
-
-
142851-03-4
1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; | 100% |
| In tetrahydrofuran | 100% |
| With triethylamine In dichloromethane at 20℃; Product distribution / selectivity; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
120-92-3
cyclopentanone
-
-
733783-96-5
ethyl 1-cyclopentyl-piperidine-4-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: 4-carbethoxypiperidine; cyclopentanone With toluene-4-sulfonic acid; acetic acid In tetrahydrofuran at 20℃; for 0.5h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran at 20℃; for 16h; Stage #3: With sodium carbonate In dichloromethane; water pH=8; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
167415-27-2
1-bromo-2,5-difluoro-4-nitrobenzene
-
-
847408-14-4
1-(5-bromo-4-fluoro-2-nitrophenyl)-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With cesium fluoride In DMF (N,N-dimethyl-formamide) at 20℃; for 18h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
700-37-8
4-chloro-2-fluoro-nitrobenzene
-
-
847408-05-3
1-(5-chloro-2-nitrophenyl)-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With cesium fluoride In DMF (N,N-dimethyl-formamide) at 0 - 20℃; for 5h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
100-52-7
benzaldehyde
-
-
24228-40-8
N-benzyl isonipecotic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; | 100% |
| With platinum on activated charcoal; hydrogen In toluene at 80℃; Flow reactor; | 100% |
| With sodium cyanoborohydride In ethanol at 20℃; for 3h; | |
| With platinum on carbon; hydrogen In toluene at 80℃; under 760.051 Torr; Reagent/catalyst; Solvent; Temperature; Flow reactor; | 100 %Spectr. |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
98-73-7
4-(1,1-dimethylethyl)benzoic acid
-
-
142778-60-7
ethyl 1-((4-tert-butyl)benzoyl)piperidine-4-carboxylate
| Conditions | Yield |
|---|---|
| With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2.5h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
329-15-7
4-trifluoromethyl-phenyl acetyl chloride
-
-
521322-72-5
1-[1-(4-trifluoromethyl-phenyl)-methanoyl]-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; for 20h; | 100% |
| With triethylamine In dichloromethane at 0 - 20℃; for 20h; | 100% |
| With triethylamine In dichloromethane at 0 - 20℃; for 20h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
583-02-8
ethyl 4-(trifluoromethyl)benzoate
-
-
521322-72-5
1-[1-(4-trifluoromethyl-phenyl)-methanoyl]-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 0 - 20℃; for 20h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
199915-38-3
9-fluorenylmethoxycarbonyl isothiocyanate
-
-
675149-01-6
1-thiocarbamoyl-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| Stage #1: 4-carbethoxypiperidine; 9-fluorenylmethoxycarbonyl isothiocyanate In chloroform at 20℃; for 1h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 1h; | 100% |
| Stage #1: 4-carbethoxypiperidine; 9-fluorenylmethoxycarbonyl isothiocyanate In chloroform at 20℃; for 3h; Stage #2: With piperidine In dichloromethane at 20℃; | 30% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
79-44-7
N,N-Dimethylcarbamoyl chloride
-
-
333985-78-7
ethyl 1-(N,N-Dimethylcarbamoyl)-4-piperidinecarboxylate
| Conditions | Yield |
|---|---|
| With triethylamine at 20℃; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
183788-13-8
3-bromo-8,11-dichloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
-
-
204574-41-4
Ethyl 1-[3-bromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-4-piperidinecarboxylate
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 25℃; for 19h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
4023-00-1
1H-Pyrazole-1-carboxamidine
-
-
887624-48-8
ethyl 1-[amino(imino)methyl]piperidine-4-carboxylate hydrochloride
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 60℃; for 12h; | 100% |
| Conditions | Yield |
|---|---|
| at 60℃; for 20h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
1207474-51-8
(1s,3R,4S)-3,4-bis(nitrooxy)cyclopentanecarboxylic acid
-
-
1207474-52-9
ethyl1-{[(1s,3R,4S)-3,4-bis(nitrooxy)cyclopentyl]carbonyl}piperidine-4-carboxylate
| Conditions | Yield |
|---|---|
| With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In dichloromethane at 20℃; for 3h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
1012044-07-3
2-chloro-N-phenyl-N-[1-(4-trifluoromethylbenzoyl)piperidin-4-yl]acetamide
-
-
1012044-42-6
N-phenyl-N-[1-(4-trifluoromethylbenzoyl)piperidin-4-yl]-2-[4-ethoxycarbonylpiperidin-1-yl]acetamide
| Conditions | Yield |
|---|---|
| In acetonitrile at 70℃; for 4.5h; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
1258281-73-0
2-(5-bromo-2-fluoro-phenyl)-5-methyl-benzoimidazole-1-carboxylic acid tert-butyl ester
-
-
1258281-47-8
2-[5-(4-ethoxycarbonyl-piperidin-1-yl)-2-fluoro-phenyl]-5-methyl-benzoimidazole-1-carboxylic acid tert-butyl ester
| Conditions | Yield |
|---|---|
| With caesium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 80℃; Inert atmosphere; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
1259022-06-4
2-(4'-(6-Carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)-acetic acid
-
-
1259023-13-6
ethyl 1-(2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-chlorobiphenyl-4-yl)acetyl)piperidine-4-carboxylate
| Conditions | Yield |
|---|---|
| With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 20h; | 100% |
-
-
635-46-1
1,2,3,4-tetrahydroisoquinoline
-
-
1126-09-6
4-carbethoxypiperidine
-
-
503-38-8
trichloromethyl chloroformate
-
-
1000211-89-1
ethyl 1-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)piperidine-4-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,3,4-tetrahydroisoquinoline; trichloromethyl chloroformate With triethylamine In dichloromethane Stage #2: 4-carbethoxypiperidine In dichloromethane | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
213265-83-9
4,6-dichloro-5-fluoropyrimidine
-
-
1369872-07-0
ethyl 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In acetonitrile Inert atmosphere; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
| Conditions | Yield |
|---|---|
| Stage #1: 1-(4-chlorobenzyl)-5-fluoro-1H-indole-2-carboxylic acid With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 0.333333h; Inert atmosphere; Stage #2: 4-carbethoxypiperidine With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 18h; Inert atmosphere; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
1249604-45-2
ethyl 1-(3-methoxy-propyl)-piperidin-4-carboxylate
| Conditions | Yield |
|---|---|
| With caesium carbonate In acetonitrile at 20℃; Reflux; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
154348-17-1
ethyl 1-isopropylpiperidine-4-carboxylate
| Conditions | Yield |
|---|---|
| With caesium carbonate In acetonitrile at 20℃; Reflux; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
| Conditions | Yield |
|---|---|
| With caesium carbonate In acetonitrile at 20℃; Reflux; | 100% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
13139-17-8
N-(Benzyloxycarbonyloxy)succinimide
-
-
160809-38-1
1-benzyl 4-ethyl piperidine-1,4-dicarboxylate
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran; water at 25℃; for 2h; Carboxylation; | 99% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
175553-31-8
1-[2-(4-fluorophenyl)-ethyl]-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sodium iodide; potassium carbonate In water; acetonitrile | 99% |
| With sodium iodide; potassium carbonate In water; acetonitrile | 99% |
-
-
1126-09-6
4-carbethoxypiperidine
-
-
40759-47-5
1-(2-methanesulfonyloxyethyl)-4-fluorobenzene
-
-
175553-31-8
1-[2-(4-fluorophenyl)-ethyl]-piperidine-4-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With potassium carbonate; sodium iodide In acetonitrile at 75℃; Product distribution / selectivity; | 99% |
Ethyl isonipecotate Chemical Properties
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
Ethyl isonipecotate 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
Ethyl isonipecotate 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.
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