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79099-07-3

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Basic Information
CAS No.: 79099-07-3
Name: N-(tert-Butoxycarbonyl)-4-piperidone
Article Data: 137
Molecular Structure:
Molecular Structure of 79099-07-3 (N-(tert-Butoxycarbonyl)-4-piperidone)
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: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-20/21/22
Safety: 37/39-26-36
PSA: 46.61000
LogP: 1.52430
Synthetic route
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%
24424-99-5

di-tert-butyl dicarbonate

40064-34-4

piperidine-4,4-diol hydrochloride

79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

tert-butyl (3-cyano-4,6-dimethylpyridin-2-yl) carbonate

79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium hydroxide In 1,4-dioxane; water for 12h; Cooling with ice;94%
With sodium hydroxide In 1,4-dioxane92.5%
With triethylamine In dichloromethane; ethyl acetate86%
541-16-2

t-butyl malonate

40064-34-4

piperidine-4,4-diol hydrochloride

79099-07-3

N-tert-butyloxycarbonylpiperidin-4-one

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran; water at 0 - 20℃;93%
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Chemistry

Molecular Structure:

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): HarmfulXn,IrritantXi
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