3-Methyl-4-piperidone supplier

Name
3-METHYL-4-PIPERIDONE
EINECS
CAS No. 5773-58-0
Article Data6
CAS DataBase
Density 0.951g/cm³
Solubility
Melting Point
Formula C₆ H₁₁ N O
Boiling Point 182.631 °C at 760 mmHg
Molecular Weight 113.159
Flash Point 81.781 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Piperidone,3-methyl- (6CI,7CI,8CI);3-Methyl-4-piperidone;3-Methylpiperidin-4-one;AKOS BC-0319;
PSA 29.10000
LogP 0.51370

Synthetic route

: 34737-89-8
1-Benzyl-3-methyl-4-piperidon

: 5773-58-0
3-methyl-4-piperidone

Conditions

Conditions	Yield
With palladium dihydroxide; hydrogen In ethanol under 2637.5 Torr; for 24h; Ambient temperature;	95%
With hydrogen; palladium on activated charcoal In ethanol under 2585.81 Torr;
With hydrogen; palladium dihydroxide In ethanol at 20℃; under 2585.81 Torr; for 4h;
With hydrogen; palladium on activated charcoal In methanol at 25℃; for 48h;

: 181269-69-2
tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate

: 5773-58-0
3-methyl-4-piperidone

Conditions

Conditions	Yield
Stage #1: tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate With trifluoroacetic acid In dichloromethane at 20℃; for 1h; Stage #2: With water In dichloromethane; water	75%

: 91016-40-9
5-diethylamino-2-methyl-pent-1-en-3-one

: 5773-58-0
3-methyl-4-piperidone

Conditions

Conditions	Yield
With ammonia mit fluessigem Ammoniak;

: 5773-58-0
3-methyl-4-piperidone

: 1189852-14-9
N-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide

: 76-05-1
trifluoroacetic acid

: 4-(2-hydroxypropan-2-yl)-N-(7-(3-methyl-4-oxopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl)benzamide trifluoroacetate

Conditions

Conditions	Yield
Stage #1: 3-methyl-4-piperidone; N-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)-4-(2-hydroxypropan-2-yl)benzamide In 1-methyl-pyrrolidin-2-one at 85℃; Stage #2: trifluoroacetic acid In 1-methyl-pyrrolidin-2-one; methanol; water; dimethyl sulfoxide; acetonitrile HPLC;	56%

...Expand

: 5773-58-0
3-methyl-4-piperidone

: 84501-67-7
2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl bromide

: 173065-98-0
1-<2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl>-3-methyl-4-piperidone

Conditions

Conditions	Yield
With sodium carbonate; sodium iodide In acetonitrile for 96h; Heating;	51%

: 5773-58-0
3-methyl-4-piperidone

: 2399-56-6
1,2-Epoxy-3-menthyloxy-propan

: 1253796-69-8
C19H35NO3

Conditions

Conditions	Yield
With water at 20℃; for 18h;	6%

: 5773-58-0
3-methyl-4-piperidone

: 6092-80-4
phenoxyamine hydrochloride

: 43213-62-3
4-methyl-1,2,3,4-tetrahydro-benzo[4,5]furo[3,2-c]pyridine

Conditions

Conditions	Yield
With hydrogenchloride In ethanol Heating;

: 5773-58-0
3-methyl-4-piperidone

: 81735-43-5
2-Chloromethyl-4,4-dimethyl-4H-1,3-benzothiazine

: 2-(4'-Oxo-3'-methylpiperidino)methyl-4,4-dimethyl-4H-1,3-benzothiazine

Conditions

Conditions	Yield
With sodium hydride In various solvent(s)

: 5773-58-0
3-methyl-4-piperidone

: 1-<2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl>-3-methyl-4-(4-bromo-2-fluoroanilino)piperidine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 51 percent / NaI, Na2CO3 / acetonitrile / 96 h / Heating 2: 48 percent / NaBH3CN, 3 Angstroem molecular sieves, HCl(gas) / methanol / 96 h / Ambient temperature View Scheme

: 5773-58-0
3-methyl-4-piperidone

: bromobrifentanil

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 51 percent / NaI, Na2CO3 / acetonitrile / 96 h / Heating 2: 48 percent / NaBH3CN, 3 Angstroem molecular sieves, HCl(gas) / methanol / 96 h / Ambient temperature 3: 38.8 percent / CH2Cl2 / 16 h / Heating View Scheme

: 5773-58-0
3-methyl-4-piperidone

: brifentanil

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 51 percent / NaI, Na2CO3 / acetonitrile / 96 h / Heating 2: 48 percent / NaBH3CN, 3 Angstroem molecular sieves, HCl(gas) / methanol / 96 h / Ambient temperature 3: 38.8 percent / CH2Cl2 / 16 h / Heating 4: tritium gas, Et3N / 5percent Pd/C / ethanol / 3 h / 24 °C View Scheme

: 5773-58-0
3-methyl-4-piperidone

: dimethyl-[2-(4-methyl-3,4-dihydro-1H-benzo[4,5]furo[3,2-c]pyridin-2-yl)-ethyl]-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / ethanol / Heating 2: Na2CO3 / xylene / Heating View Scheme

: 5773-58-0
3-methyl-4-piperidone

: dimethyl-[3-(4-methyl-3,4-dihydro-1H-benzo[4,5]furo[3,2-c]pyridin-2-yl)-propyl]-amine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / ethanol / Heating 2: Na2CO3 / xylene / Heating View Scheme

: 5773-58-0
3-methyl-4-piperidone

: 4-methyl-2-[3-(4-methyl-piperazin-1-yl)-propyl]-1,2,3,4-tetrahydro-benzo[4,5]furo[3,2-c]pyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / ethanol / Heating 2: Na2CO3 / xylene / Heating View Scheme

: 5773-58-0
3-methyl-4-piperidone

: 1-(4-fluoro-phenyl)-4-(4-methyl-3,4-dihydro-1H-benzo[4,5]furo[3,2-c]pyridin-2-yl)-butan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / ethanol / Heating 2: Na2CO3 / xylene / Heating View Scheme

: 5773-58-0
3-methyl-4-piperidone

: 54995-92-5
2-(3-chloro-propionyl)-4-methyl-1,2,3,4-tetrahydro-benzo[4,5]furo[3,2-c]pyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / ethanol / Heating 2: aq. NaOH / benzene / 20 °C View Scheme

: 5773-58-0
3-methyl-4-piperidone

: 4-chloro-1-(4-methyl-3,4-dihydro-1H-benzo[4,5]furo[3,2-c]pyridin-2-yl)-butan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / ethanol / Heating 2: aq. NaOH / benzene / 20 °C View Scheme

: 5773-58-0
3-methyl-4-piperidone

: 4-methyl-2-(3-pyrrolidin-1-yl-propionyl)-1,2,3,4-tetrahydro-benzo[4,5]furo[3,2-c]pyridine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: HCl / ethanol / Heating 2: aq. NaOH / benzene / 20 °C 3: Heating View Scheme

: 5773-58-0
3-methyl-4-piperidone

: 4-methyl-2-(4-pyrrolidin-1-yl-butyryl)-1,2,3,4-tetrahydro-benzo[4,5]furo[3,2-c]pyridine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: HCl / ethanol / Heating 2: aq. NaOH / benzene / 20 °C 3: Heating View Scheme

: 5773-58-0
3-methyl-4-piperidone

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

: 181269-69-2
tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate

Conditions

Conditions	Yield
With N,N-dimethylethylenediamine In dichloromethane at 20℃; for 2.5h;
With dmap; triethylamine In tetrahydrofuran; water at 20℃; for 18h;

: 5773-58-0
3-methyl-4-piperidone

: 2402-77-9
2,3-dichloro-pyridine

: 828266-05-3
1-(3-chloropyridin-2-yl)-3-methylpiperidin-4-one

Conditions

Conditions	Yield
In dimethyl sulfoxide at 85℃; for 12h;

: 5773-58-0
3-methyl-4-piperidone

: 622-95-7
4-chlorobenzyl bromide

: 1250946-51-0
C13H16ClNO

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;

3-Methyl-4-piperidone Specification

The 3-Methyl-4-piperidone with cas registry number of 5773-58-0, is also called 4-Piperidone,3-methyl- (6CI,7CI,8CI) ; 3-Methylpiperidin-4-one ; AKOS BC-0319 .

Physical properties of 3-Methyl-4-piperidone : (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 29.1 ?2; (11)Index of Refraction: 1.438; (12)Molar Refractivity: 31.245 cm3; (13)Molar Volume: 118.976 cm3; (14)Polarizability: 12.387 10-24cm3; (15)Surface Tension: 27.345 dyne/cm; (16)Enthalpy of Vaporization: 41.888 kJ/mol; (17)Vapour Pressure: 0.803 mmHg at 25°C .

You can still convert the following datas into molecular structure:(1)SMILES:O=C1CCNCC1C; (2)InChI:InChI=1/C6H11NO/c1-5-4-7-3-2-6(5)8/h5,7H,2-4H2,1H3; (3)InChIKey:KTWRIXHINMYODR-UHFFFAOYAS; (4)Std. InChI:InChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h5,7H,2-4H2,1H3; (5)Std. InChIKey:KTWRIXHINMYODR-UHFFFAOYSA-N.

Product Name

3-METHYL-4-PIPERIDONE

Synthetic route

3-Methyl-4-piperidone Specification

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