4-Piperidinone
4-piperidone
CAS: 41661-47-6
Molecular Formula: C5H9NO
4-Piperidinone - Names and Identifiers
| Name | 4-piperidone |
| Synonyms | 4-piperidin 4-PIPERIDONE γ-Piperidone 4-piperidone 4-Piperidinon 4-piperidinone γ-Piperidinone 4-Oxopiperidine Piperidin-4-one AKOS BBS-00004234 4-Piperidone(Hclform) Irinotecan Impurity 16 HCl 1-((6-chloro-2,3-dihydro-2-(4-methoxyphenyl)-3-oxo-1h-isoindol-1-yl)acetyl)-4-piperidinon |
| CAS | 41661-47-6 |
| EINECS | 255-481-1 |
| InChI | InChI=1/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2 |
4-Piperidinone - Physico-chemical Properties
| Molecular Formula | C5H9NO |
| Molar Mass | 99.13 |
| Density | 1.001±0.06 g/cm3(Predicted) |
| Boling Point | 175.1±15.0 °C(Predicted) |
| Flash Point | 84.6°C |
| Vapor Presure | 1.17mmHg at 25°C |
| pKa | 8.95±0.20(Predicted) |
| Refractive Index | 1.448 |
4-Piperidinone - Risk and Safety
| Risk Codes | R11 - Highly Flammable R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 1993 |
| Hazard Class | IRRITANT |
4-Piperidinone - Reference Information
| Uses | 4-piperidone is a piperidine heterocyclic compound. Heterocyclic compounds are the most important structure of chemical substances. They are widely distributed in nature and are widely used in the fields of medicine, pesticides, dyes and fine chemicals. |
| synthesis method | a synthesis method of intermediate 4-piperidone, including the following steps:(1) adding β-alanine methyl ester into ethanol, placing it in a reaction kettle, adding ethylene, mixing evenly, cooling to 0 ℃, adding PS-AlCl3-SbCl5 and sodium ethoxide, stirring for reaction, after the reaction is completed, cooling to room temperature, decompression distillation to remove ethanol;(2) adding DMF to the reaction kettle, stirring and mixing evenly, heating to 110 degrees C, stirring under the condition of reflux reaction, after 1h reaction, down to room temperature, with ethyl acetate extraction, evaporation of ethyl acetate, after decompression distillation, the preparation of the 4-piperidone. The preparation method of the PS-AlCl3-SbCl5 includes the following steps: adding polystyrene powder to carbon tetrachloride, heating to 80 ° C., adding AlCl3 and SbCl5, and performing a reflux reaction under stirring conditions. After the reaction is completed, it is reduced to room temperature, filtered, washed, and dried to obtain the PS-AlCl3-SbCl5; wherein the mass fraction of AlCl3 is 10%, and the mass fraction of SbCl5 is 7%. The molar volume ratio of β-alanine methyl ester to ethanol is 1.1mol/L; the molar ratio of β-alanine methyl ester to ethylene is 1:1.2; the mass ratio of β-alanine methyl ester to catalyst auxiliary is 4:13; the molar ratio of β-alanine methyl ester to sodium ethoxide is 9:7; the volume ratio of DMF to ethanol is 1:1. The yield of 4-piperidone was 91.7%. |
Last Update：2024-04-09 20:49:11
