Tris(dibenzylideneacetone)dipalladium(0)

Catalog Number	ACM51364513-2
CAS	51364-51-3
Structure
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
Purity	98%
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
Complexity	272
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
EC Number	610-654-4
Exact Mass	916.12077
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