HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Idramantone
kemantane · 5-HYDROXY-2-ADAMANTANONE · HADON · AKOS BB-9629 · CHEMBRDG-BB 4013898 · Hydroxyadamantanone · Adamantan-4-on-1-ol · 5-Hydroxy-2-adamantone
Identifikatoren & physikalische Daten
| CAS No. | 20098-14-0 |
|---|---|
| Summenformel | C10H14O2 |
| Durchschnittliche Molmasse | 166,22 g/mol |
| Monoisotopische Masse | 166,09937969 g/mol |
| SMILES | O=C1C2CC3CC1CC(O)(C3)C2 |
| InChIKey | TZBDEVBNMSLVKT-UHFFFAOYSA-N |
| PubChem CID | 64184 |
| ChEMBL | CHEMBL2105062 |
| ChEBI | CHEBI:48581 |
| EC No. | 892-625-8 |
| DTXSID | DTXSID8046581 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 228 |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 296.5±33.0 °C(Predicted) |
| Dichte | 1.301±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methanol |
| pKa (Säurekonstante) | 14.69±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| InChI | InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2 |
| InChIKey | TZBDEVBNMSLVKT-RIKBPLFRSA-N |
| SMILES | C12CC3(O)CC(CC(C3)C1=O)C2 |
| CAS Datenbank | 20098-14-0(CAS DataBase Reference) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29144000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36/37/39-27-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
5-Hydroxy-2-adamantanone (5-hydroxyadamantan-2-one) is a versatile starting material for synthesising various 2,5- or 1,4-disubstituted adamantanes. Chemical methods for synthesizing 5-hydroxy-2-adamantanone include disproportionation of 2-hydroxyadamantane and oxidation of 2-adamantanone. A synthetic approach to produce 5-hydroxy-2-adamantanone using P450cam (CYP101A1; a camphor monooxygenase) coupled with NADH regeneration as an oxidation biocatalyst has been reported[1].
Verwenden
anthelmintic