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| Name |
Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate |
EINECS | 217-412-3 |
| CAS No. | 1838-39-7 | Density | 1.077g/cm3 |
| PSA | 55.84000 | LogP | 0.76250 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H21NO4 | Boiling Point | 309.5 °C at 760 mmHg |
| Molecular Weight | 243.303 | Flash Point | 141 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Piperidineaceticacid, 4-carboxy-, diethyl ester (7CI,8CI);1-Carbethoxymethyl-4-carbethoxypiperidine;1-Carboethoxymethyl-4-carboethoxypiperidine;NSC 100756; |
Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: piperidine-4-carboxylic acid ethyl ester hydrochloride With potassium carbonate In acetonitrile at 20℃; for 0.166667h; Stage #2: chloroacetic acid ethyl ester In acetonitrile at 20℃; for 5.5h; | 93.1% |
- 1126-09-6
4-carbethoxypiperidine
- 105-39-5
chloroacetic acid ethyl ester
- 1838-39-7
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
| Conditions | Yield |
|---|---|
| With potassium carbonate |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Raney nickel; dioxane / 175 - 180 °C / 91938.4 Torr / Hydrogenation 2: K2CO3 View Scheme |
| Conditions | Yield |
|---|---|
| With potassium; toluene anschliessend mit konz. Salzsaeure; | |
| With potassium ethoxide; toluene anschliessend mit konz. Salzsaeure; |
- 1838-39-7
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
- 34286-16-3
2-ethoxycarbonyl-3-quinuclidinone
| Conditions | Yield |
|---|---|
| With potassium ethoxide; toluene | |
| With potassium tert-butylate In toluene for 4.5h; Dieckmann Condensation; Reflux; Inert atmosphere; |
- 1838-39-7
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
- 99169-54-7
3-(3-oxo-quinuclidin-2-yl)-propionitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium ethylate; toluene / anschliessend mit konz. Salzsaeure 2: methanol. KOH; tert-butyl alcohol View Scheme |
- 1838-39-7
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
- 105788-47-4
2,2-bis-(2-cyano-ethyl)-quinuclidin-3-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: potassium ethylate; toluene / anschliessend mit konz. Salzsaeure 2: tert-butyl alcohol; acrylonitrile; methanol. KOH 3: LiAlH4; diethyl ether; benzene / 65 - 70 °C View Scheme |
- 1838-39-7
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
- 100705-63-3
3,3'-(3-oxo-quinuclidine-2,2-diyl)-di-propionitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium ethylate; toluene / anschliessend mit konz. Salzsaeure 2: tert-butyl alcohol; acrylonitrile; methanol. KOH View Scheme |
- 1838-39-7
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: potassium ethylate; toluene / anschliessend mit konz. Salzsaeure 2: tert-butyl alcohol; acrylonitrile; methanol. KOH 3: acetic acid; concentrated aqueous HCl View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: hydrazine hydrate; sodium ethylate; ethanol / 175 °C View Scheme |
Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate Specification
The Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate with the cas number 1838-39-7 is also called 1-Carbethoxymethyl-4-carbethoxypiperidine. Both the systematic name and IUPAC name are ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate. Its EINECS registry number is 217-412-3. The molecular formula is C12H21NO4.
The properties of the chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11.09; (7)ACD/KOC (pH 5.5): 16.67; (8)ACD/KOC (pH 7.4): 187.11; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 62.57 cm3; (15)Molar Volume: 225.7 cm3; (16)Polarizability: 24.8×10-24cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Enthalpy of Vaporization: 55.02 kJ/mol; (19)Vapour Pressure: 0.000637 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CN1CCC(C(=O)OCC)CC1
(2)InChI: InChI=1/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
(3)InChIKey: OBXXSRPAQLOXJN-UHFFFAOYAW
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