| Identification | More | [Name]
1-Isopropyl-4-piperidone | [CAS]
5355-68-0 | [Synonyms]
1-(1'-METHYLETHYL)-4-PIPERIDONE
1-ISOPROPYL-4-PIPERIDONE
1-ISOPROPYL-PIPERIDIN-4-ONE
TIMTEC-BB SBB005846
1-Isopropyl-4-piperidinone
4-Piperidinone, 1-(1-methylethyl)-
4-Piperidinone,1-(1-methylethyl)-
4-Piperidone, 1-isopropyl-
isopropyl-4-piperidone
N-Isopropyl-4-piperidon
N-Isopropyl-4-piperidone
1-(1-Methylethyl)-4-piperidinone
1-Isopropylpiperidin-4-one 98%
1-(1''-METHYLETHYL)-4-PIPERIDONE 99%
1-Isopropylpiperidine-4-one | [EINECS(EC#)]
226-339-6 | [Molecular Formula]
C8H15NO | [MDL Number]
MFCD00038035 | [Molecular Weight]
141.21 | [MOL File]
5355-68-0.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR YELLOW TO BROWN LIQUID | [Melting point ]
105-105.5 °C | [Boiling point ]
100-101 °C (27 mmHg)
| [density ]
0.95
| [refractive index ]
1.465-1.467
| [Fp ]
100-101°C/27mm | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
clear liquid | [pka]
8.18±0.20(Predicted) | [color ]
Colorless to Brown | [BRN ]
107857 | [InChI]
InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3 | [InChIKey]
CCDBCHAQIXKJCG-UHFFFAOYSA-N | [SMILES]
N1(C(C)C)CCC(=O)CC1 | [CAS DataBase Reference]
5355-68-0(CAS DataBase Reference) | [NIST Chemistry Reference]
N-isopropyl-4-piperidone(5355-68-0) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, 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 . | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW TO BROWN LIQUID | [Uses]
Used as a pharmaceutical intermediate. | [Synthesis]
Preparation of 1-Isopropyl-4-piperidone: Potassium carbonate (4.2 g, 31.1 mmol) was added into a solution of isopropylamine (2.1 mL, 3.3 mmol) in ethanol (10 mL) and the resulting mixture was heated at 75 °C. A solution of 1,1-dimethyl-4-oxopiperidinium iodide (4.0 g, 15.5 mmol) in water (5 mL) was added over a period of 30 minutes. The reaction mixture was stirred 1 hour at 75 °C, and then 12 hours at room temperature. The reaction mixture was concentrated under reduced pressure. The residue was taken up with water (25 mL) and extracted with dichloromethane (25 mL). The organic layer was dried (Na2SO4) and concentrated under vacuum. a colourless oil (1.5 g, 69 %). 1H NMR (DMSO-d6, 400 MHz): δ 2.89-2.83 (m, 1 H), 2.67 (t, J=5.9 Hz, 4H), 2.29 (t, J=5.9 Hz, 4H), 0.98 (d, J=6.5 Hz, 6H). LCMS (Method C): Mass found (M+ 142.2), Rt (min): 0.63, Area (%): 99.4 (Max. Chrom.).
 | [References]
[1] Patent: EP2508526, 2012, A1. Location in patent: Page/Page column 45
[2] Patent: WO2012/130915, 2012, A1. Location in patent: Page/Page column 55-56 |
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