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| CAS No.: | 79099-07-3 |
|---|---|
| Name: | N-(tert-Butoxycarbonyl)-4-piperidone |
| Article Data: | 137 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C10H17NO3 |
| Molecular Weight: | 199.25 |
| Synonyms: | 1,1-Dimethylethyl4-oxo-1-piperidinecarboxylate;1-(tert-Butoxycarbonyl)-4-oxopiperidine;1-(tert-Butyloxycarbonyl)-4-piperidone;1-BOC-4-piperidone;1-Boc-4-oxopiperidine;4-Oxo-1-(tert-butoxycarbonyl)piperidine;4-Oxopiperidin-1-carboxylic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-4-piperidinone;N-(tert-Butyloxycarbonyl)piperidin-4-one;N-BOC-4-piperidone;N-Boc-4-oxopiperidine;N-Boc-piperidin-4-one;tert-Butyl 4-oxo-1-piperidinecarboxylate; |
| EINECS: | 616-664-5 |
| Density: | 1.099 g/cm3 |
| Melting Point: | 73-77 ºC |
| Boiling Point: | 289.8 ºC at 760 mmHg |
| Flash Point: | 129.1 ºC |
| Solubility: | slightly soluble in Water |
| Appearance: | light yellow powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 37/39-26-36 |
| PSA: | 46.61000 |
| LogP: | 1.52430 |
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- 791061-00-2Cyclobutanamine, 3,3-difluoro-
- 79-10-7Acrylic acid
- 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% |
- 24424-99-5
di-tert-butyl dicarbonate
- 40064-34-4
piperidine-4,4-diol hydrochloride
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| With sodium carbonate In tetrahydrofuran; water at 20℃; for 12h; | 99% |
| With sodium hydroxide In tetrahydrofuran; water at 20℃; for 16h; | 98.6% |
| With potassium hydrogencarbonate In chloroform at 20℃; | 95% |
- 73390-11-1
4-piperidinone monohydrate
- 24424-99-5
di-tert-butyl dicarbonate
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water at 50℃; for 3h; | 99% |
- 24424-99-5
di-tert-butyl dicarbonate
- 5174-67-4
piperidin-2-one hydrochloride
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| With dmap; N-ethyl-N,N-diisopropylamine In acetonitrile for 2h; Inert atmosphere; | 99% |
- 4248-19-5
tert-butyl carbamate
- 41979-39-9
4-piperidone hydrochloride
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| Stage #1: 4-piperidone hydrochloride With sodium hydroxide In water at 0℃; Stage #2: tert-butyl carbazate In water for 4h; | 98.44% |
- 41661-47-6
piperidin-4-one
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| In ethanol for 1h; Reflux; | 96% |
- 41661-47-6
piperidin-4-one
- 24424-99-5
di-tert-butyl dicarbonate
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| With triethylamine In methanol; dichloromethane at 0 - 25℃; for 12h; Inert atmosphere; | 95% |
| With triethylamine In dichloromethane at 20℃; for 16h; | 86% |
| With sodium hydroxide In tetrahydrofuran for 2h; Ambient temperature; |
- 109384-19-2
t-butyl 4-hydroxy piperidine-1-carboxylate
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| With bis(1,5-cyclooctadiene)nickel(0); potassium tert-butylate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride In 2,4-dichlorotoluene at 25℃; for 0.5h; Inert atmosphere; | 95% |
| With sodium hypochlorite; C186H204N12O36; sodium hydrogencarbonate; potassium bromide In dichloromethane; water at 0 - 15℃; for 4h; pH=8.6; | 95% |
| With (diacetoxyiodo)benzene In dichloromethane at 20℃; for 3h; | 95% |
- 24424-99-5
di-tert-butyl dicarbonate
- 40064-34-4
4-piperidone monohydrochloride monohydrate
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 1,4-dioxane; water for 12h; Cooling with ice; | 94% |
| With sodium hydroxide In 1,4-dioxane | 92.5% |
| With triethylamine In dichloromethane; ethyl acetate | 86% |
- 541-16-2
t-butyl malonate
- 40064-34-4
piperidine-4,4-diol hydrochloride
- 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran; water at 0 - 20℃; | 93% |
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Chemistry
Molecular Structure:
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Molecular Formula: C10H17NO3
Molecular Weight: 199.2469
IUPAC Name: tert-Butyl 4-oxopiperidine-1-carboxylate
Synonyms of N-(tert-Butoxycarbonyl)-4-piperidone (CAS NO.79099-07-3): BOC-Piperidone ; tert-Butyl 4-oxopiperidine-1-carboxylate ; 1-Piperidinecarboxylicacid, 4-oxo-, 1,1-dimethylethyl ester
CAS NO: 79099-07-3
Classification Code: Amines; blocks; Carbonyl Compounds; Heterocycles; Miscellaneous Biochemicals; pharmacetical; Pyrans, Piperidines &Piperazines; Piperidine; Piperidines; Amino Acids & Derivatives; Pyrans, Piperidines & Piperazines
Melting point: 73-77 °C
Index of Refraction: 1.481
Molar Refractivity: 51.57 cm3
Molar Volume: 181.1 cm3
Surface Tension: 39.5 dyne/cm
Density: 1.099 g/cm3
Flash Point: 129.1 °C
Enthalpy of Vaporization: 52.92 kJ/mol
Boiling Point: 289.8 °C at 760 mmHg
Vapour Pressure: 0.00215 mmHg at 25 °C
Uses
N-(tert-Butoxycarbonyl)-4-piperidone (CAS NO.79099-07-3) is used as a pharmaceutical intermediates.
Safety Profile
Hazard Codes of N-(tert-Butoxycarbonyl)-4-piperidone (CAS NO.79099-07-3): 
Xn,
Xi
Risk Statements: 36/37/38-20/21/22
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 37/39-26-36
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.
S36: Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
-
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