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1,5-Diphenylpenta-1,4-dien-3-on
1,5-DIPHENYL-1,4-PENTADIEN-3-ONE · DIBENZAL ACETONE · (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one · TRANS,TRANS-1,5-DIPHENYL-1,4-PENTADIEN-3-ONE · AKOS 213-33 · DISTYRYL KETONE · 1,3-Dibenzylideneacetone · TRANS,TRANS-DIBENZALACETONE
Identifikatoren & physikalische Daten
| CAS No. | 538-58-9 |
|---|---|
| Summenformel | C17H14O |
| Durchschnittliche Molmasse | 234,29 g/mol |
| Monoisotopische Masse | 234,10446507 g/mol |
| SMILES | O=C(C=Cc1ccccc1)C=Cc1ccccc1 |
| InChIKey | WMKGGPCROCCUDY-UHFFFAOYSA-N |
| PubChem CID | 95417 |
| DTXSID | DTXSID0060224 |
| Lokaler Name | 1,5-Diphenylpenta-1,4-dien-3-on |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 272 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 107-113 °C |
| Siedepunkt | 336.62°C (rough estimate) |
| Dichte | 1.0477 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| Farbe | yellow |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| InChI | InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H |
| InChIKey | WMKGGPCROCCUDY-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1 |
| CAS Datenbank | 538-58-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1,4-Pentadien-3-one, 1,5-diphenyl- (538-58-9) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 1,4-Pentadien-3-one, 1,5-diphenyl- |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914790090 |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Beschreibung
Dibenzalaceton bildet gelbe, wasserunlösliche, stark hautreizende Kristalle. Die Verbindung besitzt nur wissenschaftliches Interesse.
Verwenden
Dibenzylideneacetone is used as a ligand to prepare palladium catalysts, which are widely used in catalytic hydrogenation, coupling, carbonylation, alkyne ring trimerization, etc.
Herstellung & Synthese
synthetische
Dibenzylideneacetone is obtained by the reaction of benzaldehyde and acetone. The reaction was carried out in aqueous ethanol solution at a reaction temperature of 20-25°C with a yield of 78%.