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Cas Database |
| Name |
4-Piperidinone,hydrochloride (1:1) |
EINECS | 255-602-8 |
| CAS No. | 41979-39-9 | Density | 1.001 g/cm3 |
| PSA | 33.68000 | LogP | -2.51410 |
| Solubility | N/A | Melting Point |
145.5-147 °C(Solv: acetonitrile (75-05-8)) |
| Formula | C5H10ClNO | Boiling Point | 175.1 °C at 760 mmHg |
| Molecular Weight | 135.594 | Flash Point | 84.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Piperidinone,hydrochloride (9CI);4-Oxopiperidine hydrochloride;4-Piperidone hydrochloride;Piperidin-4-one monohydrate hydrochloride; |
Article Data | 12 |
4-Piperidinone,hydrochloride (1:1) Synthetic route
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
- 41979-39-9
4-piperidone hydrochloride
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With hydrogenchloride; hydrogen; palladium dihydroxide In ethanol at 20℃; under 3102.89 Torr; for 24h; | 97% |
- 41979-39-9
4-piperidone hydrochloride
| Conditions | Yield |
|---|---|
| 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% |
- 41979-39-9
4-piperidone hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 0.5h; Heating; | 50% |
- 40064-34-4
piperidine-4,4-diol hydrochloride
- 41979-39-9
4-piperidone hydrochloride
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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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