1-Boc-3-piperidone supplier | CasNO.98977-36-7

Name
1-Boc-3-piperidone
EINECS 629-575-1
CAS No. 98977-36-7
Article Data44
CAS DataBase
Density 1.099 g/cm³
Solubility It is insoluble in water.
Melting Point 35-40 °C(lit.)
Formula C₁₀H₁₇NO₃
Boiling Point 289.825 °C at 760 mmHg
Molecular Weight 199.25
Flash Point 129.082 °C
Transport Information
Appearance white to yellow low melting solid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-butyl 3-oxopiperidine-1-carboxylate;1-N-Boc-3-piperidone;N-Boc-3-piperidinone;N-(tert-Butoxycarbonyl)-3-piperidinone;3-Oxopiperidine, N-BOC protected;N-Boc-3-piperidone;1-Boc-3-piperidone, 98%;Boc-3-piperidone;tert-butyl-3-oxopiperidine-1-carboxylate;3-Oxo-piperidine-1-carboxylic acid tert-butyl ester;
PSA 46.61000
LogP 1.52430

Synthetic route

: 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With sodium hypochlorite solution; sodium hydrogencarbonate; potassium bromide In dichloromethane at 5 - 10℃; pH=8.5; Reagent/catalyst;	99.4%
With Dess-Martin periodane In dichloromethane at 20℃; for 22h; Inert atmosphere;	97%
With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium bromide In diethyl ether; water; toluene at 0 - 4℃;	95%

: 1-benzyl-piperidin-3-one hydrochloride hydrate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol; dichloromethane	97%

: 40114-49-6
1-benzyl-3-piperidone

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

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: 1-benzyl-3-piperidone With hydrogenchloride; palladium 10% on activated carbon; hydrogen In methanol; water at 20℃; for 2h; Stage #2: With N-ethyl-N,N-diisopropylamine In methanol; water for 0.5h; Stage #3: di-tert-butyl dicarbonate In methanol; water at 20℃; for 5h; Concentration; Reagent/catalyst;	84.2%

: 1179348-67-4
C12H23NO4S

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride In 1,2-dichloro-ethane at 70℃;	82%
With bis(1,5-cyclooctadiene)diiridium(I) dichloride In 1,2-dichloro-ethane at 70℃; for 18h; Inert atmosphere;	82%

: 79-37-8
oxalyl dichloride

: 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With ammonium chloride; trimethylamine In dichloromethane; dimethyl sulfoxide	78%

: 276872-89-0
tert-butyl 3-methylidenepiperidine-1-carboxylate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; sodium periodate; ruthenium(III) chloride trihydrate In dichloromethane; water; acetonitrile at 20℃; for 1h; Inert atmosphere;	68%

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

: 50717-82-3, 74279-87-1, 74279-88-2
piperidin-3-one

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 0℃; for 2h; Yield given;
With sodium hydrogencarbonate In tetrahydrofuran for 4h;	2.93 g
With sodium hydrogencarbonate In tetrahydrofuran; water for 4h;

: C12H24NO3S(1+)*Cl(1-)

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 1h; Swern oxidation;

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

: 1-benzyl-3-piperidone monohydrochloride monohydrate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: 1-benzyl-3-piperidone monohydrochloride monohydrate With hydrogen; palladium on activated charcoal In methanol under 2844.31 Torr; Stage #2: di-tert-butyl dicarbonate With sodium hydrogencarbonate In tetrahydrofuran for 48h;	56.6 g

: 6859-99-0
3-hydroxypiperazine

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOH / tetrahydrofuran; H2O / 1 h / 20 °C 2: triethylamine; SO3*NMe3; DMSO / 18 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: NaOH / H2O; tetrahydrofuran / 1 h / 20 °C 2: 15.6 g / triethylamine; trioxide-trimethylamine complex / dimethylsulfoxide / 18 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: NaOH / tetrahydrofuran; H2O / 1 h / 20 °C 2: 15.6 g / DMSO; SO3*Me3N; triethylamine / 18 h / 20 °C View Scheme

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

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOH / tetrahydrofuran; H2O / 1 h / 20 °C 2: triethylamine; SO3*NMe3; DMSO / 18 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: NaOH / H2O; tetrahydrofuran / 1 h / 20 °C 2: 15.6 g / triethylamine; trioxide-trimethylamine complex / dimethylsulfoxide / 18 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: 90 percent / NaHCO3 / tetrahydrofuran / 14 h 2: tetrapropylammonium perruthenate; NMO; 4A molecular sieves / CH2Cl2; acetonitrile / 1 h View Scheme

: 50606-58-1
N-benzyl-3-piperidinone hydrochloride

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / Pd/C / methanol; H2O / 16 h / 2844.31 Torr 2: 2.93 g / aq. NaHCO3 / tetrahydrofuran / 4 h View Scheme

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

1.) NaH; 2.) SOCl2: 1.) NaH; 2.) SOCl2

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOH / tetrahydrofuran; H2O / 1 h / 20 °C 2: 15.6 g / DMSO; SO3*Me3N; triethylamine / 18 h / 20 °C View Scheme

: 6859-99-0
3-hydroxypiperazine

A: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

B p-F-C6H4-Hal: p-F-C6H4-Hal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CH2Cl2 2: SO3*pyridine; Et3N / CH2Cl2 View Scheme

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

A: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

B p-F-C6H4-Hal: p-F-C6H4-Hal

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CH2Cl2 2: SO3*pyridine; Et3N / CH2Cl2 View Scheme

: 6859-99-0
3-hydroxypiperazine

paraformaldehyde: paraformaldehyde

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: Cr2O3, Ac2O, Py / CH2Cl2 View Scheme

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

pentacarbonyl<1-<<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>oxy>-(E)-3-phenyl-2-propenylidene>chromium: pentacarbonyl<1-<<(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl>oxy>-(E)-3-phenyl-2-propenylidene>chromium

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: Cr2O3, Ac2O, Py / CH2Cl2 View Scheme

: 61995-16-2
1-Benzyl-3,3-dihydroxypiperidine hydrobromide

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / 10percent Pd/C / ethanol; H2O / 2205.2 Torr 2: triethylamine / tetrahydrofuran / 2 h / 0 °C View Scheme

: 40114-49-6
1-benzyl-3-piperidone

: 34619-03-9
tert-butyldicarbonate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With hydrogen; triethylamine; 20% palladium hydroxide on carbon In methanol at 50℃; under 3102.97 Torr; for 0.666667h;

: 6859-99-0
3-hydroxypiperazine

aqueous sodium hypochlorite: aqueous sodium hypochlorite

aqueous sodium bisulphite: aqueous sodium bisulphite

: 5132-07-0
TEMPO

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

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With potassium bromide; sodium chloride; sodium hydrogencarbonate In dichloromethane; water

...Expand

: 114615-82-6
tetrapropylammonium perruthennate

: 7529-22-8
4-methylmorpholine N-oxide

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
molecular sieves In dichloromethane

: 85275-45-2
N-tert-butoxycarbonyl-3-piperidinol

: 87413-09-0
Dess-Martin periodane

: sodium thiosulfate

A (1H-Benzoimidazol-2-ylmethyl)-(2-piperidin-3-ylidene-ethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine (hydrobromide salt): (1H-Benzoimidazol-2-ylmethyl)-(2-piperidin-3-ylidene-ethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine (hydrobromide salt)

B: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With NaHCO3 In dichloromethane	A 1.80 g (95%) B n/a

...Expand

: 144243-24-3
tert‐butyl 3‐aminopiperidine‐1‐carboxylate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With recombinant Rhodobacter sphaeroides amine-transaminase In dimethyl sulfoxide at 20℃; pH=7.5; aq. buffer; Enzymatic reaction;

: 143900-43-0
tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane at 20℃;

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: piperidin-3-one hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In dichloromethane; ethyl acetate at 20℃; for 1.5h;	100%
With hydrogenchloride In water at 20℃;	63%
With hydrogenchloride In 1,4-dioxane; dichloromethane at 20℃; for 3h;
With hydrogenchloride In diethyl ether; dichloromethane at 20℃; for 3h;

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 396730-46-4
1,1-dimethylethyl 3-[2-[(4-methylphenyl)sulphonyl]hydrazono]-1-piperidinecarboxylate

Conditions

Conditions	Yield
In dichloromethane for 2h;	100%

: 75-16-1
methylmagnesium bromide

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 1104083-27-3
tert-butyl 3-hydroxy-3-methylpiperidine-1-carboxylate

Conditions

Conditions	Yield
With ammonium chloride In tetrahydrofuran; diethyl ether at 0 - 20℃; for 18h; Inert atmosphere;	100%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 3-amino-piperidin-3-yl-phosphonic acid

Conditions

Conditions	Yield
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With acetamide; acetic acid; acetyl chloride at 20℃; Cooling with ice; Stage #2: With phosphorus trichloride at 75℃; Cooling with ice; Stage #3: With hydrogenchloride In water for 8h; Reflux;	100%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 625471-18-3
tert-butyl (3S)-3-aminopiperidine-1-carboxylate

Conditions

Conditions	Yield
With pyridoxal 5'-phosphate; isopropylamine In dimethyl sulfoxide at 50℃; for 50h; pH=7.5; Reagent/catalyst; Temperature; Enzymatic reaction; enantioselective reaction;	99%
With pyridoxal 5'-phosphate; transaminase pQR2189; isopropylamine In aq. phosphate buffer; dimethyl sulfoxide at 35℃; for 18h; pH=7.5; Kinetics; Reagent/catalyst;	60 %Chromat.

: 7-chloroisoquinolin-5-amine

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: tert-butyl 3-((7-chloroisoquinolin-5-yl)amino)piperidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 7-chloroisoquinolin-5-amine; 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With acetic acid at 20℃; for 0.5h; Stage #2: With sodium tris(acetoxy)borohydride at 20℃; for 18h;	99%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 143900-44-1
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate

Conditions

Conditions	Yield
With rac-octan-2-ol In aq. buffer at 35℃; for 12h; pH=8; Reagent/catalyst; pH-value; Temperature; Enzymatic reaction; enantioselective reaction;	98.08%
With D-glucose; NADP In aq. phosphate buffer; ethanol at 30℃; for 4h; pH=6; enantioselective reaction;	96%
With recombinant Rhodococcus erythropolis DSM 43297 ketoredutase; nicotinamide adenine dinucleotide In aq. phosphate buffer; isopropyl alcohol at 50℃; for 0.5h; pH=7.0; Enzymatic reaction; stereoselective reaction;	95%

: 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 149108-74-7
5-trifluoromethanesulfonyloxy-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 0℃; for 3.25h;	98%
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 2h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -78 - 20℃;	85%
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at 20℃; Inert atmosphere;	44%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 100-58-3
phenylmagnesium bromide

: 5-phenyl-1,2,3,6-tetrahydropyridine

Conditions

Conditions	Yield
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester; phenylmagnesium bromide In tetrahydrofuran at 0℃; for 1.5h; Inert atmosphere; Stage #2: With trifluoroacetic acid at 22 - 75℃;	98%

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: tert-butyl 3-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester In tetrahydrofuran at 20℃; for 5h; Horner-Wadsworth-Emmons Olefination;	98%

: 870-46-2
t-butoxycarbonylhydrazine

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 1305274-91-2
tert-butyl (3E)-3-[(tert-butoxycarbonyl)hydrazono]piperidine-1-carboxylate

Conditions

Conditions	Yield
In toluene at 60℃; for 4h;	95%

: 551-93-9
2-aminoacetophenone

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 1347747-90-3
C18H22N2O2

Conditions

Conditions	Yield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In ethyl acetate; N,N-dimethyl-formamide at 90℃; Friedlaender reaction;	95%

: 914382-66-4
(S)-cyclopentyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 1351815-36-5
cyclopentyl N-[1-(tert-butoxycarbonyl)piperidin-3-yl]-L-leucinate

Conditions

Conditions	Yield
Stage #1: (S)-cyclopentyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate; 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With sodium tris(acetoxy)borohydride In 1,1-dichloroethane at 20℃; for 18h; Stage #2: With sodium hydrogencarbonate In 1,1-dichloroethane; water at 20℃; for 0.333333h;	95%

: 19947-75-2
5-amino-3,4-dimethylisoxazol

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: tert-butyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]piperidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 5-amino-3,4-dimethylisoxazol; 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With acetic acid In 1,2-dichloro-ethane at 25℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 0 - 25℃; for 48h;	95%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 4301-14-8
acetylenemagnesium bromide

: 287192-85-2
tert-butyl 3-ethynyl-3-hydroxypiperidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester; acetylenemagnesium bromide In tetrahydrofuran at 0℃; for 4h; Stage #2: With ammonium chloride In tetrahydrofuran; water	94%
In tetrahydrofuran at 0 - 20℃; for 12h;	80%

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 871726-72-6
4-((dimethylamino)methylene)-3-oxopiperidine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
at 100℃; for 2h;	94%
In N,N-dimethyl-formamide at 80℃; for 12h;

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: C10H18N2O2

Conditions

Conditions	Yield
With ammonium acetate In ethanol for 7h; Reflux; Large scale;	93.7%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 143900-43-0
tert-butyl (3R)-3-hydroxypiperidine-1-carboxylate

Conditions

Conditions	Yield
With recombinant Chryseobacterium sp. CA 49 ketoreductase; nicotinamide adenine dinucleotide In aq. phosphate buffer; isopropyl alcohol at 40℃; for 6h; pH=7.0; Enzymatic reaction; stereoselective reaction;	93%
With SmADH31 Kinetics; Enzymatic reaction; stereoselective reaction;	89%

: 5-bromo-3-methyl-6-oxo-1,6-dihydropyridine-2-carboxamide

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 6-bromo-8-methyl-2H-spiro[imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane at 110℃; for 16h; Sealed tube;	93%

: 1035096-74-2
1-(5-Amino-1H-indazol-1-yl)-2,2-dimethylpropan-1-one Maleate

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 1035096-75-3
tert-butyl 3-(1-pivaloyl-1H-indazol-5-ylamino)piperidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 1-(5-Amino-1H-indazol-1-yl)-2,2-dimethylpropan-1-one Maleate; 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 20℃; for 1h; Stage #2: With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane	91%
Stage #1: 1-(5-Amino-1H-indazol-1-yl)-2,2-dimethylpropan-1-one Maleate; 3-oxo-piperidine-1-carboxylic acid tert-butyl ester In 1,2-dichloro-ethane at 20℃; for 1h; Inert atmosphere; Stage #2: With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane Stage #3: With sodium hydrogencarbonate In 1,2-dichloro-ethane

: 1643-73-8
(4-fluorobenzyl)magnesium chloride

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: tert-butyl 3-(4-fluorobenzyi)-3-hydroxypiperidine-1-carboxylate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 3h;	90%
In tetrahydrofuran at 20℃; for 3h;

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 610-14-0
2-nitrobenzyl chloride

: tert-butyl 4-(2-nitrobenzoyl)-3-carbonylpiperidine-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With lithium diisopropyl amide In tetrahydrofuran at -78 - -40℃; for 1h; Inert atmosphere; Stage #2: 2-nitrobenzyl chloride In tetrahydrofuran at -40 - 30℃; for 3h; Inert atmosphere;	90%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 518308-79-7
6-(4-chlorophenyl)-2-oxo-4-(piperidin-1-yl)-2H-pyran-3-carbonitrile

: tertbutyl 8-(4-chlorophenyl)−5-cyano-6-(piperidin-1-yl)−3,4-dihydroquinoline-1(2H)-carboxylate

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 0.8h; Irradiation; Sonication; Green chemistry;	89%
With sodium amide; dimethyl sulfoxide at 25 - 35℃; for 3h; regioselective reaction;

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 388573-73-7
6-(4-chloro-phenyl)-2-oxo-4-(4-phenyl-piperazin-1-yl)-2H-pyran-3-carbonitrile

: tertbutyl 8-(4-chlorophenyl)−5-cyano-6-(4-phenylpiperazin-1-yl)−3,4-dihydroquinoline-1(2H)-carboxylate

Conditions

Conditions	Yield
With potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 0.833333h; Irradiation; Sonication; Green chemistry;	89%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 1000576-83-9
tert-butyl 3-(dimethylamino)piperidinyl-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane at 20℃; Stage #2: With sodium hydrogencarbonate In water; 1,2-dichloro-ethane	88%

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: 124-40-3
dimethyl amine

: 1000576-83-9
tert-butyl 3-(dimethylamino)piperidinyl-1-carboxylate

Conditions

Conditions	Yield
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester; dimethyl amine In tetrahydrofuran; dichloromethane at 20℃; for 0.0833333h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran; dichloromethane at 20℃;	88%
Stage #1: 3-oxo-piperidine-1-carboxylic acid tert-butyl ester; dimethyl amine In ethanol at 0 - 20℃; for 2h; Stage #2: With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; for 16h;

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: C10H19NO3

Conditions

Conditions	Yield
With NAD; isopropyl alcohol In aq. phosphate buffer at 30℃; for 12h; pH=7; Reagent/catalyst; Microbiological reaction; Green chemistry; Enzymatic reaction; stereoselective reaction;	88%

: 271-29-4
6-azaindole

: 98977-36-7
3-oxo-piperidine-1-carboxylic acid tert-butyl ester

: tert-butyl 5-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,4-dihydropyridine-1(2H)-carboxylate

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 75℃; for 48h;	87%

1-Boc-3-piperidone Specification

1-Boc-3-piperidone, with the CAS Number 98977-36-7, is also called 1-(tert-Butoxycarbonyl)-3-piperidone~tert-Butyl 3-oxo-1-piperidinecarboxylate; 1-Boc-3-piperidinone; T-BUTYL-3-PIPERIDONE-1-CARBOXYLATE; TERT-BUTYL 3-OXOPIPERIDINE-1-CARBOXYLATE; N-Boc-3-piperidone. And it is white to yellow solid or liquid. 1-Boc-3-piperidone is useful in stereocontrolled synthesis of chiral compounds.

Physical properties about 1-Boc-3-piperidone are: (1)ACD/LogP: 0.761; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 2.23; (5)ACD/BCF (pH 7.4): 2.23; (6)ACD/KOC (pH 5.5): 61.81; (7)ACD/KOC (pH 7.4): 61.81; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 51.57 cm³; (12)Molar Volume: 181.195 cm³; (13)Polarizability: 20.444 10-24cm³; (14)Surface Tension: 39.5019989013672 dyne/cm; (15)Density: 1.1 g/cm³; (16)Flash Point: 129.082 °C; (17)Enthalpy of Vaporization: 52.915 kJ/mol; (18)Boiling Point: 289.825 °C at 760 mmHg; (19)Vapour Pressure: 0.0020000000949949 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)OC(=O)N1CCCC(=O)C1;
(2)Std. InChI:InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3;
(3)Std. InChIKey:RIFXIGDBUBXKEI-UHFFFAOYSA-N

Product Name

1-Boc-3-piperidone

Synthetic route

1-Boc-3-piperidone Specification

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