2-Methyl-4-piperidone supplier

Name
2-Methyl-4-piperidone
EINECS
CAS No. 71322-99-1
Article Data9
CAS DataBase
Density 0.951 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO
Boiling Point 182.6 °C at 760 mmHg
Molecular Weight 113.159
Flash Point 81.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-4-oxopiperidine;2-Methyl-4-piperidone;
PSA 29.10000
LogP 0.65620

Synthetic route

: 325486-40-6
7-methyl-8-(tert-butoxycarbonyl)-1,4-dioxo-8-azaspiro[4,5]decane

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
Stage #1: 7-methyl-8-(tert-butoxycarbonyl)-1,4-dioxo-8-azaspiro[4.5]decane With trifluoroacetic acid at 0 - 5℃; for 0.166667h; Stage #2: With water for 2.5h; Heating / reflux;	71.3%

: 126503-08-0
N-Boc-7-methyl-1,4-dioxa-8-azaspiro<4.5>decane

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
Stage #1: N-Boc-7-methyl-1,4-dioxa-8-azaspiro<4.5>decane With trifluoroacetic acid at 0 - 5℃; for 0.166667h; Stage #2: With water for 2.5h; Heating / reflux;	71.3%
Stage #1: N-Boc-7-methyl-1,4-dioxa-8-azaspiro<4.5>decane With hydrogenchloride; water In acetic acid at 20℃; Stage #2: With sodium hydroxide In water

(+-)-1,5-dimethoxy-hexan-3-one: (+-)-1,5-dimethoxy-hexan-3-one

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
With ammonia; water

: 849928-34-3
benzyl 2-methyl-4-oxopiperidine-1-carboxylate

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol under 760 Torr; for 12h;

: 620-08-6
4-methoxypyridine

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 50 percent / tetrahydrofuran / 2 h / -25 °C 2: 80 percent / Zn; AcOH / 12 h / 80 °C 3: H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 190906-91-3
3,4-dihydro-2-methyl-4-oxo-1(2H)-pyridinecarboxylic acid phenylmethyl ester

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 80 percent / Zn; AcOH / 12 h / 80 °C 2: H2 / Pd/C / methanol / 12 h / 760 Torr View Scheme

: 2-methyl-piperidin-4-one hydrochloride

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 0℃;
With hydrogenchloride In water for 14.5h; Heating / reflux;

: 676490-94-1
7-methyl-1,4-dioxa-8-azaspiro[4.5]decane

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
With water; trifluoroacetic acid at 0℃; for 2.5h; Heating / reflux;

: 24424-99-5
di-tert-butyl dicarbonate

: 598-30-1
sec.-butyllithium

: 177-11-7
4,4-ethylenedioxy-piperidine

: 71322-99-1
2-methyl-4-oxopiperidine

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; sodium hydrogencarbonate; triethylamine; trifluoroacetic acid In tetrahydrofuran; cyclohexane; water; ethyl acetate

...Expand

2-Methyl-4-piperidone Specification

The 4-Piperidinone,2-methyl-, with the CAS registry number 71322-99-1, is also known as 2-Methyl-4-oxopiperidine. This chemical's molecular formula is C₆H₁₁NO and molecular weight is 113.16. What's more, its systematic name is 2-methylpiperidin-4-one.

Physical properties of 4-Piperidinone,2-methyl- are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 20.31 Å²; (7)Index of Refraction: 1.438; (8)Molar Refractivity: 31.24 cm³; (9)Molar Volume: 118.9 cm³; (10)Polarizability: 12.38×10^-24cm³; (11)Surface Tension: 27.3 dyne/cm; (12)Density: 0.951 g/cm³; (13)Flash Point: 81.8 °C; (14)Enthalpy of Vaporization: 41.89 kJ/mol; (15)Boiling Point: 182.6 °C at 760 mmHg; (16)Vapour Pressure: 0.803 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(NCC1)C
(2)Std. InChI: InChI=1S/C6H11NO/c1-5-4-6(8)2-3-7-5/h5,7H,2-4H2,1H3
(3)Std. InChIKey: OFVHMZSKMQPCKB-UHFFFAOYSA-N

Product Name

2-Methyl-4-piperidone

Synthetic route

2-Methyl-4-piperidone Specification

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