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Cas Database |
| Name |
3-Methyl-4-piperidone |
EINECS | N/A |
| CAS No. | 5773-58-0 | Density | 0.951g/cm3 |
| PSA | 29.10000 | LogP | 0.51370 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6 H11 N O | Boiling Point | 182.631 °C at 760 mmHg |
| Molecular Weight | 113.159 | Flash Point | 81.781 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Piperidone,3-methyl- (6CI,7CI,8CI);3-Methyl-4-piperidone;3-Methylpiperidin-4-one;AKOS BC-0319; |
Article Data | 6 |
3-Methyl-4-piperidone Synthetic route
- 34737-89-8
1-Benzyl-3-methyl-4-piperidon
- 5773-58-0
3-methyl-4-piperidone
| 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 | 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 | 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
| 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% |
- 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 | Yield |
|---|---|
| With sodium carbonate; sodium iodide In acetonitrile for 96h; Heating; | 51% |
| 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 | 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
| Conditions | Yield |
|---|---|
| With sodium hydride In various solvent(s) |
- 5773-58-0
3-methyl-4-piperidone
| 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
| 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 |
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.
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