Tris(dibenzylideneacetone)dipalladium(0)

• Catalog Number: ACM51364513-2
• Product Name: Tris(dibenzylideneacetone)dipalladium(0)
• CAS: 51364-51-3
• Category: Palladium series catalysts
• Synonyms: Bis[tris(dibenzylideneacetone)palladium(0)]
• IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
• Molecular Weight: 915.73
• Molecular Formula: C51H42O3Pd2
• Canonical SMILES: C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd]
• InChI: InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h3*1-14H;/b3*13-11+,14-12+
• InChI Key: CYPYTURSJDMMMP-WVCUSYJESA-N
• Melting Point: 152-155 °C
• Appearance: Purple black crystalline powder
• Application: Amination→Buchwald-Hartwig Aminaton; Carbonylation; Cross Coupling Reactions with Arenes→Mizoroki Heck Coupling Reaction; Cross Coupling Reactions with Arenes→Stille Reaction; Cross Coupling Reactions with Arenes→Suzuki-Miyaura Coupling Reaction; Oxidation; Reduction
• Storage: 2-8°C
• Color/Form: crystalline
• Complexity: 272
• Covalently-Bonded Unit Count: 5
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 6
• EC Number: 610-654-4
• Exact Mass: 916.12077
• H-Bond Acceptor: 3
• Heavy Atom Count: 56
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]
• Monoisotopic Mass: 914.12036
• Rotatable Bond Count: 12
• Topological Polar Surface Area: 51.2 Ų