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1445-73-4

Basic Information
CAS No.: 1445-73-4
Name: 1-Methyl-4-piperidone
Article Data: 27
Molecular Structure:
Molecular Structure of 1445-73-4 (1-Methyl-4-piperidone)
Formula: C6H11NO
Molecular Weight: 113.159
Synonyms: 4-Piperidone,1-methyl- (6CI,7CI,8CI);1-Methyl-4-oxopiperidine;N-Methyl-4-piperidinone;NSC66491;4-Piperidinone,1-methyl-;N-Methyl-4-piperidone;
EINECS: 215-895-5
Density: 0.992 g/cm3
Melting Point: 192-193 °C(Solv: ethyl acetate (141-78-6))
Boiling Point: 181.5 °C at 760 mmHg
Flash Point: 60 °C
Solubility: miscible with water
Appearance: clear yellow to orange liquid
Hazard Symbols: CorrosiveC,IrritantXi
Risk Codes: 34-10-36/37/38
Safety: 23-24/25-37/39-26
Transport Information: UN 1224 3/PG 3
PSA: 20.31000
LogP: 0.21900
Synthetic route
106-52-5

N-methyl-4-hydroxypiperidine

1445-73-4

1-Methyl-4-piperidone

Conditions
ConditionsYield
With dmap; [2,2]bipyridinyl; 2-azatricyclo[3.3.1.13,7]dec-2-yloxidanyl; copper(l) chloride In acetonitrile at 20℃; for 3h; Reagent/catalyst; Solvent; Temperature; Time; chemoselective reaction;96%
With di-μ-chlorotetrakys-[(RP)-tert-butylphenylphosphinito-κ-P]diplatinate(2-); methyl vinyl ketone; sodium hydroxide In water; toluene for 16h; Schlenk technique; Inert atmosphere; Heating;14%
74-89-5

methylamine

71-43-2

benzene

1445-73-4

1-Methyl-4-piperidone

Conditions
ConditionsYield
Stage #1: methylamine; benzene With formaldehyd; toluene-4-sulfonic acid; diethyl 1,3-acetonedicarboxylate Reflux;
Stage #2: With hydrogenchloride In water for 4h; Time;
91.7%
13221-89-1, 56026-45-0

1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester

1445-73-4

1-Methyl-4-piperidone

Conditions
ConditionsYield
With hydrogenchloride; water
25012-72-0

ethyl 1-methyl-4-oxo-piperidin-3-carboxylate

1445-73-4

1-Methyl-4-piperidone

Conditions
ConditionsYield
With hydrogenchloride; water
3592-25-4

1,5-dichloropentan-3-one

74-89-5

methylamine

1445-73-4

1-Methyl-4-piperidone

Conditions
ConditionsYield
With ethanol; water; sodium carbonate
76360-18-4

4-Methoxy-1-methyl-piperidin-4-ol

A

1445-73-4

1-Methyl-4-piperidone

B

67-56-1

methanol

Conditions
ConditionsYield
Product distribution; equilibrium, determination by 13C NMR;
142080-50-0

2-(1-Methyl-piperidin-4-ylideneamino)-propionamide

A

1445-73-4

1-Methyl-4-piperidone

B

4726-84-5

alanine amide

Conditions
ConditionsYield
With sodium hydroxide In acetonitrile at 34℃; Rate constant; var. temp.;
4-benzoyloxy-1-methyl-1,2,3,6-tetrahydro-pyridine

4-benzoyloxy-1-methyl-1,2,3,6-tetrahydro-pyridine

1445-73-4

1-Methyl-4-piperidone

Conditions
ConditionsYield
With hydrogenchloride; water
l-methyl-piperidin-4-ol

l-methyl-piperidin-4-ol

1445-73-4

1-Methyl-4-piperidone

Conditions
ConditionsYield
With potassium permanganate; sulfuric acid; water

N,N-dimethyl-4-oxopiperidinium sulfate

74-89-5

methylamine

1445-73-4

1-Methyl-4-piperidone

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Chemistry

Molecular Structure of N-Methyl-4-piperidone (CAS NO.1445-73-4):

IUPAC Name: 1-Methylpiperidin-4-one
Canonical SMILES: CN1CCC(=O)CC1
InChI: InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
InChIKey: HUUPVABNAQUEJW-UHFFFAOYSA-N
Molecular Weight: 113.15764 [g/mol]
Molecular Formula: C6H11NO
XLogP3-AA: -0.3
H-Bond Donor: 0
H-Bond Acceptor: 2 
Index of Refraction: 1.464
Molar Refractivity: 31.46 cm3
Molar Volume: 114 cm3
Surface Tension: 32.4 dyne/cm
Density: 0.992 g/cm3
Flash Point: 60 °C
Enthalpy of Vaporization: 41.77 kJ/mol
Boiling Point: 181.5 °C at 760 mmHg
Vapour Pressure: 0.85 mmHg at 25 °C
Appearance: clear yellow to orange liquid
storage temp.: 0-6 °C
Water Solubility: MISCIBLE
EINECS: 215-895-5
Product Categories: PHARMACEUTICAL INTERMEDIATES; Amines and Anilines; Carbonyl Compounds; Miscellaneous; Piperidines, Piperidones, Piperazines; Piperidine; Building Blocks; Heterocyclic Building Blocks; Piperidones

Safety Profile

Safety Information of N-Methyl-4-piperidone (CAS NO.1445-73-4):
Hazard Codes: CorrosiveC,IrritantXi
Risk Statements: 34-10-36/37/38 
R34:Causes burns. 
R10:Flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-37/39-26 
S24/25:Avoid contact with skin and eyes.
S23:Do not breathe vapour. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1224 3/PG 3
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 3

Specification

 N-Methyl-4-piperidone (CAS NO.1445-73-4), its Synonyms are 4-Piperidinone,1-methyl- ; 1-Methyltetrahydropyridin-4(1H)-one- ; N-Methyl-4-piperidone ; 4-Piperidone,1-methyl- (6CI,7CI,8CI) .