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1-Ethyl-4-piperidone

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Name

1-Ethyl-4-piperidone

EINECS 222-781-9
CAS No. 3612-18-8 Density 0.966 g/cm3
PSA 20.31000 LogP 0.60910
Solubility Miscible in water. Melting Point 30-32 °C
Formula C7H13NO Boiling Point 208 °C at 760 mmHg
Molecular Weight 127.186 Flash Point 68.9 °C
Transport Information N/A Appearance clear yellow to brown viscous liquid
Safety 45-36/37/39-26 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 3612-18-8 (1-Ethyl-4-piperidone) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

4-Piperidone,1-ethyl- (6CI,7CI,8CI);1-Ethyl-4-oxopiperidine;1-Ethyl-4-piperidinone;

Article Data 15

1-Ethyl-4-piperidone Synthetic route

99329-51-8

ethyl 1-ethyl-4-oxopiperidine-3-carboxylate

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
With hydrogenchloride Heating;93%
74-96-4

ethyl bromide

41979-39-9

4-piperidone hydrochloride

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 21h;62%
With sodium carbonate In water; acetonitrile at 85℃;

8-Ethyl-1,4-dioxa-8-aza-spiro[4.5]decane

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
With hydrogenchloride In acetone for 12h; Heating;
3619-64-5

ethyl 3-[N-ethyl-N-(2-ethoxycarbonylethyl)amino]propionate

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent / NaH / toluene; ethanol / Heating
2: 93 percent / conc. aq. HCl / Heating
View Scheme
177-11-7

4,4-ethylenedioxy-piperidine

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
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
176910-35-3

1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: LiAlH4 / diethyl ether / 18 h / 0 °C
2: 5percent HCl / acetone / 12 h / Heating
View Scheme
41661-47-6

piperidin-4-one

74-96-4

ethyl bromide

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
With hydrogenchloride; potassium carbonate In ethanol Reflux;
41661-47-6

piperidin-4-one

ethyl halide

ethyl halide

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
With potassium carbonate In dichloromethane at 0 - 20℃;
41979-39-9

4-piperidone hydrochloride

75-03-6

ethyl iodide

3612-18-8

N-ethyl-4-piperidone

Conditions
ConditionsYield
With potassium carbonate In ethanol for 2h; Reflux;
3612-18-8

N-ethyl-4-piperidone

potassium cyanide

506-87-6

ammonium carbonate

8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Conditions
ConditionsYield
In methanol; water at 90℃; for 0.166667h; Bucherer-Bergs Reaction; Sealed tube; Microwave irradiation;99.8%

1-Ethyl-4-piperidone Specification

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

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