1,5-Diphenylpenta-1,4-dien-3-one;palladium
Grundinformationen
- CAS
32005-36-0- Standard-SMILES
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd]- InChIKey
UKSZBOKPHAQOMP-UHFFFAOYSA-N- Summenformel
- C34H28O2Pd
- Durchschnittliche Molmasse
- 575 g/mol
- Monoisotopische Masse
- 574,11241614
Überblick
Bis(1,5-diphenyl-1,4-pentadien-3-one) palladium(0) is a chemical compound of palladium. Palladium is a chemical element with the chemical symbol Pd and an atomic number of 46. It is found as a free metal alloyed with gold and other platinum group metals and in the rare minerals cooperite and polarite. (L794)
Namen und Bezeichner
- Bevorzugter Name
- 1,5-Diphenylpenta-1,4-dien-3-one;palladium
- IUPAC
- bis(1,5-diphenylpenta-1,4-dien-3-one);palladium
- Englischer Name
- Bis(dibenzylideneacetone)palladium
- Summenformel
- C34H20O2Pd
- Molmasse
- 566.95
Namen und Synonyme
32005-36-01,5-diphenylpenta-1,4-dien-3-one;palladiumBis((1,2,4,5-eta)-1,5-diphenyl-1,4-pentadien-3-one)palladiumC34H28O2PdPalladium(0) bis(dibenzylideneacetone)Bis(dibenzylideneacetone) Palladium(0)tris-(dibenzylideneacetone)dipalladium(0)SCHEMBL19685bis(dibenylideneacetone) palladiumbis(dibenzylidenacetone) palladiumDTXSID70953892UKSZBOKPHAQOMP-UHFFFAOYSA-N
Weitere Namen anzeigen
PD(DBA)2DBaPd(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one,palladiumPd(C17H14O)2bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) palladiumBis(dibenzyLideneacetone)paLSucrose Impurity 12Bis(dba)palladium(0)
bis(dibenzylideneacetone) palladiumpalladium bis(dibenzylideneacetone)bis (dibenzylideneacetone) palladiumbis(dibenzylidene acetone) palladiumZH0006Bis-(dibenzylidene acetone) palladiumAKOS030228490bis(dibenzylideneacetone)palladium (0)
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 34,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 272
Physikochemische Eigenschaften
- Schmelzpunkt
- 150 °C · 150°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- Chloroform (Slightly)
- Aggregatzustand
- Fine Powder
- Farbe
- Red-brown to black
- Wasserlöslichkeit
- insoluble
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/2C17H10O.Pd/c2*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h2*1-10H;
- InChIKey
- WTAPZWXVSZMMDG-JZOPPWQGSA-N
- SMILES
- O=C1C2=C(C3C=CC=CC=3)[Pd]34562(C(C2C=CC=CC=2)=C3C(=O)C4=C5C2C=CC=CC=2)C(C2C=CC=CC=2)=C16
- CAS Datenbank
- 32005 · 32005-36-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (10.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (10.8%)
Toxikologische Informationen
Health EffectsContact with palladium may cause palladium sensitivity and allergy. Animal studies have shown that palladium may damage the liver and kidney. (L798)
Toxicity Summary
Due to their ability to form strong complexes with both inorganic and organic ligands, palladium ions can disturb cellular equilibria, replace other essential ions, and interact with functional groups of macromolecules, such as proteins or DNA. Palladium complexes binding to DNA and RNA leads to strand breakage. Palladium ions are able to inhibit most major cellular functions, including DNA and RNA synthesis. Palladium compounds have been shown to bind to and inhibit various enzymes, including creatine kinase and prolyl hydroxylase. (L798)
Signs and SymptomsSkin contact with palladium may cause contact dermatitis, erythema, and oedema. (L798)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
Palladium may be absorbed through oral, dermal, and inhalation exposure. Once in the body it distributes to the kidney, liver, spleen, lymph nodes, adrenal gland, lung and bone. Palladium's ability to form complexes allows it the bind to amino acids, proteins, DNA, and other macromolecules. Palladium and its metabolites are excreted in the urine and faeces. (A21)
Anwendungen
VerwendenHydrogenation, isomerization, carbonylation, oxidation, C-C bond formation.Bis(dibenzylideneacetone)palladium(0) is used as a reagent for the preparation of allylic substituted cyclopentadienes. It acts as a homogeneous catalyst as well as in the alkylation of allyl acetates by various nucleophiles. Further, it is used in Suzuki reaction.
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