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4-Piperidinone,hydrochloride (1:1)
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  • Name 4-Piperidinone,hydrochloride (1:1)
  • EINECS255-602-8
  • CAS No. 41979-39-9
  • Density1.001 g/cm3
  • PSA33.68000
  • LogP-2.51410
  • SolubilityN/A
  • Melting Point145.5-147 °C(Solv: acetonitrile (75-05-8))
  • FormulaC5H10ClNO
  • Boiling Point175.1 °C at 760 mmHg
  • Molecular Weight135.594
  • Flash Point84.6 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 41979-39-9 (4-oxopiperidinium chloride)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data12

4-Piperidinone,hydrochloride (1:1) Synthetic route

79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol at 0 - 20℃;100%
With hydrogenchloride In 1,4-dioxane at 0 - 20℃; for 2h;99%
With hydrogenchloride In 1,4-dioxane at 15℃; for 12h;97%
3612-20-2

1-phenylmethyl-4-piperidone

41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium dihydroxide In ethanol at 20℃; under 3102.89 Torr; for 24h;97%
3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene

3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene

41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
Stage #1: 3-[3-(4-hydroxypiperidinylazo)phenoxy]propyloxymethylpolystyrene With pyridine; Dess-Martin periodane In dichloromethane at 20℃; for 72h;
Stage #2: With trifluoroacetic acid In dichloromethane at 0℃;
Stage #3: With hydrogenchloride In dichloromethane Further stages.;		62%

4-Oxo-piperidine-3-carboximidic acid methyl ester; hydrochloride

41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With hydrogenchloride for 0.5h; Heating;50%
40064-34-4

piperidine-4,4-diol hydrochloride

41979-39-9

4-piperidone hydrochloride

Conditions
ConditionsYield
With thionyl chloride
24424-99-5

di-tert-butyl dicarbonate

41979-39-9

4-piperidone hydrochloride

79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

Conditions
ConditionsYield
With sodium hydrogencarbonate In water 1) 35 deg C, 1 h; 2) 50 deg C, 2.5 h;100%
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 16h;100%
Stage #1: di-tert-butyl dicarbonate; 4-piperidone hydrochloride With triethylamine; dmap In methanol at 20℃; for 20h;
Stage #2: With hydrogenchloride In dichloromethane		100%
41979-39-9

4-piperidone hydrochloride

501-53-1

benzyl chloroformate

19099-93-5

benzyl 4-oxo-1-piperidinecarboxylate

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran; water at 0 - 20℃;100%
With sodium hydrogencarbonate In 1,4-dioxane; water at 18 - 25℃; for 48h;100%
With sodium hydroxide In tetrahydrofuran; water at 0℃; for 1h;99.5%
399-51-9

6-fluoro-1H-indole

41979-39-9

4-piperidone hydrochloride

180161-14-2

6-fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole

Conditions
ConditionsYield
With potassium hydroxide In methanol for 60h; Condensation; Heating;100%
With potassium hydroxide In methanol at 70℃; for 5h;
41979-39-9

4-piperidone hydrochloride

123-11-5

4-methoxy-benzaldehyde

919091-64-8

(3E,5E)-3,5-bis(4′-methoxybenzylidene)-piperidin-4-one

Conditions
ConditionsYield
With hydrogenchloride; acetic acid at 20℃; for 24h;100%
With hydrogenchloride; acetic acid
With sodium hydroxide In methanol at 20℃; for 3h; Aldol Condensation;
41979-39-9

4-piperidone hydrochloride

79-22-1

methyl chloroformate

29976-54-3

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

Conditions
ConditionsYield
Stage #1: 4-piperidone hydrochloride With potassium carbonate In tetrahydrofuran; water at 20℃; Inert atmosphere;
Stage #2: methyl chloroformate In tetrahydrofuran; water at 0 - 20℃; for 2h; Inert atmosphere;		100%
With potassium carbonate In water at 0℃; for 2h;98.7%
With potassium carbonate In water at 0℃; for 2h;94%

4-Piperidinone,hydrochloride (1:1) Specification

The 4-Piperidinone,hydrochloride (1:1), with the CAS registry number 41979-39-9, is also known as 4-Oxopiperidinium chloride. Its EINECS registry number is 255-602-8. This chemical's molecular formula is C5H10ClNO and molecular weight is 135.045092. Its IUPAC name is called piperidin-4-one hydrochloride.

Physical properties of 4-Piperidinone,hydrochloride (1:1): (1)ACD/LogP: -0.74; (2)ACD/LogD (pH 5.5): -3.68; (3)ACD/LogD (pH 7.4): -2.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1 ; (10)Flash Point: 84.6 °C; (11)Enthalpy of Vaporization: 41.14 kJ/mol; (12)Boiling Point: 175.1 °C at 760 mmHg; (13)Vapour Pressure: 1.17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCC1=O.Cl
(2)InChI: InChI=1S/C5H9NO.ClH/c7-5-1-3-6-4-2-5;/h6H,1-4H2;1H
(3)InChIKey: GJQNVZVOTKFLIU-UHFFFAOYSA-N

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