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2-Piperidon
piperidin-2-one · 2-PIPERIDINONE · VALEROLACTAM · DELTA-VALEROLACTAM · Piperidon · 5-Aminovaleric acid lactam · valerolactim · D-VALEROLACTAM
Identifikatoren & physikalische Daten
| CAS No. | 27154-43-4 |
|---|---|
| Summenformel | C5H9NO |
| Durchschnittliche Molmasse | 99,13 g/mol |
| Monoisotopische Masse | 99,06841391 g/mol |
| SMILES | O=C1CCCCN1 |
| InChIKey | XUWHAWMETYGRKB-UHFFFAOYSA-N |
| PubChem CID | 12665 |
| ChEMBL | CHEMBL12193 |
| ChEBI | CHEBI:77761 |
| EC No. | 211-622-9 |
| DTXSID | DTXSID1060976 |
| Lokaler Name | 2-Piperidon |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 80,1 |
| Polymers | Plastics & Rubber -> Other Monomers |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | -0.46 |
| Löslichkeit | 291 mg/mL at 25 °CChloroform (Slightly), Methanol (Slightly)291 g/L (25 ºC) |
| Schmelzpunkt | 39.5 °C38-40 °C (lit.) |
| Physical Description | White or off-white crystalline solid[Alfa Aesar MSDS] |
| Siedepunkt | 256 °C (lit.) 81-82 °C/0.1 mmHg (lit.) |
| Dichte | 1.073 |
| Brechungsindex | 1.4431 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Low Melting Crystalline Mass |
| Farbe | White to yellow to brown |
| pH | 4.8 (200g/l, H2O, 20℃) |
| Explosionsgrenze | 1.5-8.7%(V) |
| BRN | 106434 |
| Stabilität | Stable under recommended storage conditions., Stable Under Recommended Storage C |
| InChI | 1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7) |
| InChIKey | XUWHAWMETYGRKB-UHFFFAOYSA-N |
| SMILES | O=C1CCCCN1 |
| CAS Datenbank | 675-20-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Piperidinone(675-20-7) |
| EPA chemische Informationen | 2-Piperidone (675-20-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (2 of 10) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Piperidinone2-Piperidinone: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | Causes convulsions and cyanosis in acute oral studies of rats[RTECS] May cause irritation[Alfa Aesar MSDS] See Caprolactam, 2-Pyrrolidone, and Cyclododecalactam. |
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| F | 3-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29337900 |
| RTECS-Nr. | TO0110000 |
| R-Sätze (R) | 36/37-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
δ-Valerolactam is a useful synthetic intermediate. It is an intermediate used to synthesize Cenicriviroc (C256550), an experimental drug candidate for the treatment of HIV infection. It is also a starting material for a new route to hexahydrojulolidines, using intramolecular 1,4-cycloaddition.
Herstellung & Synthese
synthetische
2-Piperidone can be obtained from cyclopentanone as raw material by a two-step reaction.