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41661-47-6

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Basic Information
CAS No.: 41661-47-6
Name: 4-Piperidinone
Article Data: 36
Molecular Structure:
Molecular Structure of 41661-47-6 (4-Piperidinone)
Formula: C5H9NO
Molecular Weight: 99.1326
Synonyms: 4-Oxopiperidine;g-Piperidinone;g-Piperidone;
EINECS: 255-481-1
Density: 1.001 g/cm3
Boiling Point: 175.1 °C at 760 mmHg
Flash Point: 84.6 °C
Appearance: Colorless Liquid
Risk Codes: 11-20/21/22
Safety: 16-26-36/37/39
Transport Information: UN 1993
PSA: 29.10000
LogP: 0.26770
Synthetic route
79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane at 0 - 20℃; for 3h;100%
With trifluoroacetic acid In dichloromethane at 20℃;100%
With trifluoroacetic acid In dichloromethane
With trifluoroacetic acid In 1,2-dichloro-ethane
With hydrogenchloride In 1,4-dioxane at 20℃; for 4h;6.5 g
19099-93-5

benzyl 4-oxo-1-piperidinecarboxylate

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With hydrogen; palladium diacetate; pyrographite In tetrahydrofuran; methanol at 25℃; under 760.051 Torr; for 12h;99%
797751-17-8

4-oxo-piperidine-1-carboxylic acid prop-2-ynyl ester

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With benzyltriethylammonium tetrathiomolybdate In acetonitrile at 20℃; for 2h;97%
267666-09-1

1-((2-nitrophenyl)sulfonyl)piperidin-4-one

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With polystyrene-thiophenol; caesium carbonate; triphenylphosphine In tetrahydrofuran at 20℃; for 24h;94%
74-85-1

ethene

4138-35-6

methyl 3-aminopropanoate

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
Stage #1: ethene; methyl 3-aminopropanoate With sodium ethanolate In ethanol at 5℃;
Stage #2: In N,N-dimethyl-formamide at 120℃; for 2h; Concentration; Temperature;
93.7%
29976-53-2

N-ethoxycarbonyl-4-piperidone

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With hydrogenchloride In water at 100℃; for 10h;90.7%
3612-20-2

1-phenylmethyl-4-piperidone

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With hydrogen; palladium dihydroxide; palladium on activated charcoal In tetrahydrofuran; water; isopropyl alcohol for 6h;90%
With palladium on activated charcoal; ammonium formate In methanol for 0.5h; Reflux;86%
With Pd/C; hydrogen In ethanol
50-00-0

formaldehyd

67-64-1

acetone

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With ammonia at 60 - 70℃; Green chemistry;68%
383865-57-4

4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl-amine

A

41661-47-6

piperidin-4-one

B

4-oxo-piperidine-1-carboxylic acid (4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide

Conditions
ConditionsYield
A n/a
B 38%

4-methoxy-1,2,3,6-tetrahydro-pyridine

41661-47-6

piperidin-4-one

Conditions
ConditionsYield
With hydrogenchloride
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Chemistry

Molecular Structure of 4-Piperidinone (CAS NO.41661-47-6):

IUPAC Name: Piperidin-4-one 
Empirical Formula: C5H9NO
Molecular Weight: 99.1311
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 20.31 Å2
Index of Refraction: 1.448
Molar Refractivity: 26.53 cm3
Molar Volume: 98.9 cm3
Surface Tension: 31.2 dyne/cm
Density: 1.001 g/cm3
Flash Point: 84.6 °C
Enthalpy of Vaporization: 41.14 kJ/mol
Boiling Point: 175.1 °C at 760 mmHg
Vapour Pressure: 1.17 mmHg at 25 °C
EINECS: 255-481-1
Product Categories: Miscellaneous
InChI: InChI=1/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2
Smiles: O=C1CCNCC1

Safety Profile

Risk Statements: 11-20/21/22
R11:Highly flammable. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 16-26-36/37/39
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 1993
HazardClass: Irritant

Specification

  4-Piperidinone , with CAS number of 41661-47-6, can be called Piperidin-4-one ; 4-Piperidone .