HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6420876Erstellt: 27. Oktober 2026
1-(1,1-Dimethylethyl) 3-ethyl 4-oxo-1,3-piperidinedicarboxylate
1-tert-butyl 3-ethyl 4-oxopiperidine-1,3-dicarboxylate · 1-N-BOC-4-OXO-3-PIPERIDINECARBOXYLIC ACID ETHYL ESTER · 4-OXO-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-ETHYL ESTER · N-Boc-4-Oxo-3-piperidinecarboxylic acid ethyl ester · Ethyl 1-tert-Butoxycarbonyl-4-oxo-3-piperidinecarboxylate · N-Boc-3-carboethoxy piperidone · 4-oxopiperidine-1,3-dicarboxyL · N-Boc-3-Carboethxy-4-Piperidone
https://huagongshe.com/de/chemical/6420876
Identifikatoren & physikalische Daten
| CAS No. | 98977-34-5 |
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| Summenformel | C13H21NO5 |
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| Durchschnittliche Molmasse | 271,31 g/mol |
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| Monoisotopische Masse | 271,14197277 g/mol |
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| SMILES | CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCC1=O |
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| InChIKey | ABBVAMUCDQETDO-UHFFFAOYSA-N |
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| PubChem CID | 6420876 |
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| EC No. | 619-384-1 |
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| DTXSID | DTXSID20423590 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 72,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 372 |
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| Schmelzpunkt | 62.0 to 66.0 °C |
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| Siedepunkt | 364.6±42.0 °C(Predicted) |
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| Dichte | 1.152±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 11.08±0.20(Predicted) |
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| Farbe | White to Yellow |
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| InChI | InChI=1S/C13H21NO5/c1-5-18-11(16)9-8-14(7-6-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3 |
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| InChIKey | ABBVAMUCDQETDO-UHFFFAOYSA-N |
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| SMILES | N1(C(OC(C)(C)C)=O)CCC(=O)C(C(OCC)=O)C1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| UN-Transportnummer | UN3259 |
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| Zollcode | 29333990 |
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| R-Sätze (R) | 36/38 |
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| Sicherheitshinweise (S) | 36 |
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| Gefahrenklasse | 8 |
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Anwendungen & Verwendung
Beschreibung
N-Boc-3-Carboethoxy-4-piperidone has several applications in scientific research. It is used as a biochemical reagent, a pharmaceutical intermediate, and a building block in organic synthesis. In biochemical research, N-Boc-3-Carboethoxy-4-piperidone can be a substrate for various enzymes, such as proteases and glycosidases. It can also be used as a starting material for synthesising various pharmaceuticals, such as antibiotics and anti-inflammatory drugs. Finally, it can be used as a building block in organic synthesis, as it can be used to synthesize various polymers and other organic compounds.
