chloroacetic acid ethyl ester
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
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% |
4-carbethoxypiperidine
chloroacetic acid ethyl ester
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
Conditions | Yield |
---|---|
With potassium carbonate |
isonicotinic acid ethylester
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
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; |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
2-ethoxycarbonyl-3-quinuclidinone
Conditions | Yield |
---|---|
With potassium ethoxide; toluene | |
With potassium tert-butylate In toluene for 4.5h; Dieckmann Condensation; Reflux; Inert atmosphere; |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
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 |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
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 |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
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 |
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 |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: sodium; toluene / Behandeln mit Chlor-diphenyl-acetylchlorid und Erwaermen des Reaktionsgemisches mit wss. Salzsaeure View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: sodium; toluene / Behandeln mit 2,2-Diphenyl-pent-4-enoylchlorid View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
3-bromo-quinuclidine; hydrobromide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: concentrated aqueous hydrobromic acid / 180 °C View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: benzene View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
(S)-quinuclidin-3-ol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: (1S)-2-oxo-bornane-10-sulfonic acid View Scheme | |
Multi-step reaction with 6 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C 3.1: sodium hydroxide; water / 0.5 h / -5 - 0 °C 3.2: 1.5 h 4.1: 2 h / 20 °C 5.1: ethanol; water / 0.33 h / 50 °C 6.1: sodium hydroxide / water / 1 h / 70 °C View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
(R)-quinuclidin-3-ol
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: (1S)-2-oxo-bornane-10-sulfonic acid View Scheme | |
Multi-step reaction with 6 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C 3.1: sodium hydroxide; water / 0.5 h / -5 - 0 °C 3.2: 1.5 h 4.1: 2 h / 20 °C 5.1: ethanol; water / 0.33 h / 50 °C 6.1: sodium hydroxide / water / 1 h / 70 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether View Scheme | |
Multi-step reaction with 3 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C 3.1: sodium hydroxide; water / 0.5 h / -5 - 0 °C 3.2: 1.5 h View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
(R)-diphenylacetic acid quinuclidin-3-yl ester
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: (1S)-2-oxo-bornane-10-sulfonic acid 4: benzene View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
3-(Diphenylacetyloxy)quinuclidine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: potassium; toluene / anschliessend mit konz. Salzsaeure 2: lithium alanate; diethyl ether 3: benzene View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
3-quinuclidinone hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
3-acetoxyquinuclidine
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C 3.1: sodium hydroxide; water / 0.5 h / -5 - 0 °C 3.2: 1.5 h 4.1: 2 h / 20 °C View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C 3.1: sodium hydroxide; water / 0.5 h / -5 - 0 °C 3.2: 1.5 h 4.1: 2 h / 20 °C 5.1: ethanol; water / 0.33 h / 50 °C View Scheme |
ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: potassium tert-butylate / toluene / 4.5 h / Reflux; Inert atmosphere 2.1: Reflux 2.2: 20 °C 3.1: sodium hydroxide; water / 0.5 h / -5 - 0 °C 3.2: 1.5 h 4.1: 2 h / 20 °C 5.1: ethanol; water / 0.33 h / 50 °C View Scheme |
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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