Catalog Number
ACM51364513-2
Product Name
Tris(dibenzylideneacetone)dipalladium(0)
Synonyms
Bis[tris(dibenzylideneacetone)palladium(0)]
IUPAC Name
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
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
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;
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
6
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
Topological Polar Surface Area
51.2 Ų