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CAS No.: | 3612-18-8 |
---|---|
Name: | 1-Ethyl-4-piperidone |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H13NO |
Molecular Weight: | 127.186 |
Synonyms: | 4-Piperidone,1-ethyl- (6CI,7CI,8CI);1-Ethyl-4-oxopiperidine;1-Ethyl-4-piperidinone; |
EINECS: | 222-781-9 |
Density: | 0.966 g/cm3 |
Melting Point: | 30-32 °C |
Boiling Point: | 208 °C at 760 mmHg |
Flash Point: | 68.9 °C |
Solubility: | Miscible in water. |
Appearance: | clear yellow to brown viscous liquid |
Hazard Symbols: | C,Xi |
Risk Codes: | 34-36/37/38 |
Safety: | 45-36/37/39-26 |
PSA: | 20.31000 |
LogP: | 0.60910 |
ethyl 1-ethyl-4-oxopiperidine-3-carboxylate
N-ethyl-4-piperidone
Conditions | Yield |
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With hydrogenchloride Heating; | 93% |
Conditions | Yield |
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With potassium carbonate In acetonitrile for 21h; | 62% |
With sodium carbonate In water; acetonitrile at 85℃; |
N-ethyl-4-piperidone
Conditions | Yield |
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With hydrogenchloride In acetone for 12h; Heating; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 100 percent / NaH / toluene; ethanol / Heating 2: 93 percent / conc. aq. HCl / Heating View Scheme |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: pyridine / CHCl3 / 18 h / Heating 2: LiAlH4 / diethyl ether / 18 h / 0 °C 3: 5percent HCl / acetone / 12 h / Heating View Scheme |
1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone
N-ethyl-4-piperidone
Conditions | Yield |
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Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether / 18 h / 0 °C 2: 5percent HCl / acetone / 12 h / Heating View Scheme |
Conditions | Yield |
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With hydrogenchloride; potassium carbonate In ethanol Reflux; |
Conditions | Yield |
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With potassium carbonate In dichloromethane at 0 - 20℃; |
Conditions | Yield |
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With potassium carbonate In ethanol for 2h; Reflux; |
Conditions | Yield |
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In methanol; water at 90℃; for 0.166667h; Bucherer-Bergs Reaction; Sealed tube; Microwave irradiation; | 99.8% |
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The 4-Piperidinone,1-ethyl-, with the CAS registry number 3612-18-8 and EINECS registry number 222-781-9, has the systematic name and IUPAC of 1-ethylpiperidin-4-one. It is a kind of clear yellow to brown viscous liquid, and belongs to the following product categories: Amines; blocks; Piperidine; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Piperidones. And the molecular formula of the chemical is C7H13NO. What's more, it should be stored at 2-8°C.
The characteristics of 4-Piperidinone,1-ethyl- are as followings: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 36.08 cm3; (15)Molar Volume: 131.5 cm3; (16)Polarizability: 14.3×10-24cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.966 g/cm3; (19)Flash Point: 68.9 °C; (20)Enthalpy of Vaporization: 44.42 kJ/mol; (21)Boiling Point: 208 °C at 760 mmHg; (22)Vapour Pressure: 0.219 mmHg at 25°C.
Uses of 4-Piperidinone,1-ethyl-: It can react with iodomethane to produce 1-ethyl-1-methyl-4-oxo-piperidinium; iodide. This reaction will need the menstruum acetone. The reaction time is 5 hours with temperature of 20-25°C, and the yield is about 94%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CCN(CC)CC1
(2)InChI: InChI=1/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
(3)InChIKey: BDVKAMAALQXGLM-UHFFFAOYAR