1-Ethyl-4-piperidone supplier

Name
1-Ethyl-4-piperidone
EINECS 222-781-9
CAS No. 3612-18-8
Article Data15
CAS DataBase
Density 0.966 g/cm³
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
Appearance clear yellow to brown viscous liquid
Safety 45-36/37/39-26
Risk Codes 34-36/37/38
Molecular Structure
Hazard Symbols C,Xi
Synonyms 4-Piperidone,1-ethyl- (6CI,7CI,8CI);1-Ethyl-4-oxopiperidine;1-Ethyl-4-piperidinone;
PSA 20.31000
LogP 0.60910

Synthetic route

: 99329-51-8
ethyl 1-ethyl-4-oxopiperidine-3-carboxylate

: 3612-18-8
N-ethyl-4-piperidone

Conditions

Conditions	Yield
With hydrogenchloride Heating;	93%

: 74-96-4
ethyl bromide

: 41979-39-9
4-piperidone hydrochloride

: 3612-18-8
N-ethyl-4-piperidone

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

: 3612-18-8
N-ethyl-4-piperidone

: 74-88-4
methyl iodide

: 77542-18-8
1-methyl-1-ethyl-4-oxopiperidinium iodide

Conditions

Conditions	Yield
In acetone at 20℃; for 18h;	95%
In acetone at 20 - 25℃; for 23h;	95%
In acetone at 0 - 20℃; for 6h;	95%

: 3612-18-8
N-ethyl-4-piperidone

: 459-57-4
4-fluorobenzaldehyde

: 3E,5E-3,5-bis[(4-fluorophenyl)methylidene]-1-ethyl-4-piperidone

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h;	95%
In ethanol	57.7%
With potassium hydroxide In methanol at 25℃;

: 3612-18-8
N-ethyl-4-piperidone

: 104-87-0
4-methyl-benzaldehyde

: 330657-31-3
1-ethyl-3,5-bis(4-methylbenzylidene)piperid in-4-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water at 20℃; for 0.5h;	95%

: 3612-18-8
N-ethyl-4-piperidone

: 30148-50-6
bis(trimethylsilyl)phosphonite

: trimethylsilyl 1-ethyl-4-(trimethylsiloxy)piperidin-4-ylphosphinate

Conditions

Conditions	Yield
In dichloromethane at 0 - 5℃; Inert atmosphere;	93%

: 3612-18-8
N-ethyl-4-piperidone

: 874-42-0
2,4-dichlorobenzaldeyhde

: 1434133-38-6
3E,5E-3,5-bis[(2,4-dichlorophenyl)methylidene]-1-ethyl-4-piperidone

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 5 - 8℃; Aldol Condensation;	92.21%
With potassium hydroxide In methanol at 25℃; for 3h;	88%

: 3612-18-8
N-ethyl-4-piperidone

: 104-88-1
4-chlorobenzaldehyde

: 3,5-Bis-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-1-ethyl-piperidin-4-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h;	92%
With sodium hydroxide In ethanol; water at 20℃;

: 3612-18-8
N-ethyl-4-piperidone

: 118-93-4
o-hydroxyacetophenone

: 1630952-43-0
1'-ethylspiro[chromene-2,4'-piperidin]-4(3H)-one

Conditions

Conditions	Yield
With pyrrolidine In ethanol for 24h; Inert atmosphere; Reflux;	92%

: 3612-18-8
N-ethyl-4-piperidone

: 118-92-3
anthranilic acid

: 10-chloro-2-ethyl-1,2,3,4-tetrahydro-benzo[b][1,6]naphthyridine

Conditions

Conditions	Yield
With phosphorus (III) oxychloride at 60℃; for 5h;	91%

: 3612-18-8
N-ethyl-4-piperidone

: 118-92-3
anthranilic acid

A: 10-chloro-2-ethyl-1,2,3,4-tetrahydro-benzo[b][1,6]naphthyridine

B: 21563-73-5
2-aminobenzoyl chloride

Conditions

Conditions	Yield
With trichlorophosphate at 60℃; for 5h;	A 91% B n/a
With phosphorus (III) oxychloride for 2h; Heating;

...Expand

: 3612-18-8
N-ethyl-4-piperidone

: 1122-91-4
4-bromo-benzaldehyde

: 3,5-Bis-[1-(4-bromo-phenyl)-meth-(E)-ylidene]-1-ethyl-piperidin-4-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h;	90%
With sodium hydroxide In ethanol; water at 20℃;

: 1003-09-4
2-bromothiophene

: 3612-18-8
N-ethyl-4-piperidone

: 1046478-49-2
1-ethyl-1,2,3,6-tetrahydro-4-(thiophen-2-yl)pyridine

Conditions

Conditions	Yield
Stage #1: N-ethyl-4-piperidone With tris-(dibenzylideneacetone)dipalladium(0); toluene-4-sulfonic acid hydrazide; lithium tert-butoxide; XPhos In 1,4-dioxane for 0.0166667h; Inert atmosphere; Stage #2: 2-bromothiophene In 1,4-dioxane at 110℃; for 5h; Inert atmosphere;	90%

: 3612-18-8
N-ethyl-4-piperidone

: 7357-70-2
Cyanothioacetamide

: 109-77-3
malononitrile

: 311333-66-1
10-amino-7,11-dicyano-3-ethyl-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-8-thiolate

Conditions

Conditions	Yield
In ethanol at 20℃; for 2h;	90%

...Expand

: 22411-59-2
p-diethylamino-cinnamaldehyde

: 3612-18-8
N-ethyl-4-piperidone

: 1427057-62-2
(3E,5E)-3,5-bis{(2E)-3-[4-(diethylamino)phenyl]prop-2-en-1-ylidene}-1-ethylpiperidin-4-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In acetonitrile Aldol Condensation;	90%

: 3612-18-8
N-ethyl-4-piperidone

: piperidine-4-sulfonic acid amide monohydrochloride

: 1'-ethyl-[1,4'-bipiperidine]-4-sulfonamide

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; triethylamine In acetonitrile for 20h;	90%

: 3612-18-8
N-ethyl-4-piperidone

: 447-61-0
2-Trifluoromethylbenzaldehyde

: N-ethyl-3,5-bis-(2-(trifluoromethyl)benzylidene)piperidin-4-one

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 8℃; for 12h;	89.5%

: 98-03-3
thiophene-2-carbaldehyde

: 3612-18-8
N-ethyl-4-piperidone

: 728901-55-1
1-ethyl-3,5-bis(thien-2-yl-methyl-ene)-piperidin-4-one

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 20℃; for 0.5h;	89%

: 3612-18-8
N-ethyl-4-piperidone

: 96517-60-1
cyanoselenoacetamide

: 1447544-61-7
10-amino-7,11-dicyano-3-ethyl-9-aza-3-azoniaspiro[5,5]undeca-7,10-diene-8-selenolate

Conditions

Conditions	Yield
In ethanol at 20℃; for 24h; Inert atmosphere;	89%

: 3612-18-8
N-ethyl-4-piperidone

: 105-56-6
ethyl 2-cyanoacetate

: C13H16N4O2

Conditions

Conditions	Yield
With ammonium hydroxide; ammonium acetate In methanol at 0 - 10℃; for 10h; Large scale;	89%

: 3612-18-8
N-ethyl-4-piperidone

: 89201-18-3
3-acetyl-1-phenyl-2-pentene-1,4-dione

: 6-acetyl-1'-ethyl-5-methyl-3a-phenyl-3a,6a-dihydrospiro[furo[2,3-d][1,3]dioxole-2,4'-piperidine]

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at -40℃; for 3h; Solvent; Temperature; Inert atmosphere;	88%

: 3612-18-8
N-ethyl-4-piperidone

: 100-52-7
benzaldehyde

: (3E,5E)-3,5-dibenzylidene-1-ethylpiperidin-4-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h;	87%

: 3612-18-8
N-ethyl-4-piperidone

: 93-02-7
2,5-dimethoxybenzaldehyde

: (3E,5E)-3,5-bis(2,5-dimethoxybenzylidene)-1-ethylpiperidin-4-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h;	87%
With sodium hydroxide In ethanol; water at 5 - 8℃; Aldol Condensation;	69.01%

: 3612-18-8
N-ethyl-4-piperidone

: 55023-32-0
4,6-dimethylthieno[2,3-b]pyridine-3(2H)-one

: 109-77-3
malononitrile

: C19H22N4OS

Conditions

Conditions	Yield
With triethylamine In ethanol at 40 - 60℃;	86%

...Expand

: 3612-18-8
N-ethyl-4-piperidone

: 10075-50-0
5-bromo-1H-indole

: 1046478-53-8
5-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

Conditions

Conditions	Yield
Stage #1: N-ethyl-4-piperidone With tris-(dibenzylideneacetone)dipalladium(0); toluene-4-sulfonic acid hydrazide; lithium tert-butoxide; XPhos In 1,4-dioxane for 0.0166667h; Inert atmosphere; Stage #2: 5-bromo-1H-indole In 1,4-dioxane at 110℃; for 5h; Inert atmosphere;	86%

: 3612-18-8
N-ethyl-4-piperidone

: 20432-35-3, 6203-18-5
3-(4-dimethylamino-phenyl)-propenal

: 1427057-61-1
(3E,5E)-3,5-bis{(2E)-3-[4-(dimethylamino)phenyl]prop-2-en-1-ylidene}-1-ethylpiperidin-4-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In acetonitrile Aldol Condensation;	86%

: 3612-18-8
N-ethyl-4-piperidone

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 574717-86-5
N'-(1-ethylpiperidin-4-ylidene)-4-methylbenzenesulfonohydrazide

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In ethanol Reflux;	86%

: 3612-18-8
N-ethyl-4-piperidone

: 120-14-9
3,4-dimethoxy-benzaldehyde

: (3E,5E)-3,5-bis(3,4-dimethoxybenzylidene)-1-ethylpiperidin-4-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 20℃; for 0.5h;	85%
With sodium hydroxide In ethanol; water at 5 - 8℃; Aldol Condensation;	66.32%

: 3612-18-8
N-ethyl-4-piperidone

: 73874-95-0
tert‐butyl piperidin‐4‐ylcarbamate

: 1214265-91-4
tert-butyl 1'-(ethyl)-1,4'-bipiperidin-4-ylcarbamate

Conditions

Conditions	Yield
Stage #1: N-ethyl-4-piperidone; (piperidin-4-yl)carbamic acid tert-butyl ester With sodium tris(acetoxy)borohydride; acetic acid In tetrahydrofuran Stage #2: With sodium carbonate In water	85%

: 3612-18-8
N-ethyl-4-piperidone

: 513-37-1
2-methylprop-1-enyl chloride

: 1-ethyl-1-(2-methylallyl)-4-oxopiperidine-1-ium iodide

Conditions

Conditions	Yield
Stage #1: 2-methylprop-1-enyl chloride With sodium iodide In acetone at 20℃; for 5h; Stage #2: N-ethyl-4-piperidone In acetone at 50℃; for 8h;	85%

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

Product Name

1-Ethyl-4-piperidone

Synthetic route

1-Ethyl-4-piperidone Specification

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