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Ensinger PEI

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Alfa Chemistry Materials Tris(dibenzylideneacetone)dipalladium(0)
Material Notes: Applications: 1. Catalyst precursor for conversion of aryl chlorides, triflates, and nonaflates to nitroaromatics. 2. Catalyst for the synthesis of epoxides. 3. Catalytic asymmetric allylic and homoallylic diamination of terminal olefins. 4. Site-selective benzylic sp3 palladium-catalyzed direct arylation. 5. Palladium-catalyzed one-pot synthesis of tricyclic indolines. 6. Active catalyst for the Suzuki-Miyaura coupling of 2-pyridyl nucleophiles. 7. Catalyst in combination with BINAP for the asymmetric Heck Arylation of olefins. 8. Precursor for palladium-catalyzed carbon-nitrogen bond formation. 9. Catalyst for α-arylation of ketones, 10. Cross-coupling of aryl halides with aryl boronic acids.

Synonyms: tris(dibenzylideneacetone)-dipalladium(0); tris(dibenzylideneacetone)dipaliadium(0); CHEMDOSE™, TRIS[DIBENZYLIDENEACETONE]DIPALLADIUM(0); tris(dibenzylideneacetone)dipalladium; tris(dibenzyldineacetonyl)bis-palladium; Tris(dibenzylideneacetone)dipalladium(0); TRIS[MU-[(1,2-ETA:4,5-ETA)-(1E,4E)-1,5-DIPHENYL-1,4-PENTADIEN-3-ONE]]DI-PALLADIUM; tris-(dibenzylideneacetone)dipalladium (0); tris-(dibenzylideneacetone)-dipalladium (0); AN-12204

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];

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Physical PropertiesOriginal ValueComments
Molecular Weight 914.12 g/molMonoisotopic Mass - Isotopic Peak from Most Abundant Isotopes
 915.734 g/mol
 916.121 g/mol"Exact Mass" - Based on Specific Isotopes
Storage Temperature 2.00 - 8.00 °C
 
Descriptive Properties
Alfa Chemistry Materials CategoryMetals and Materials
CAS Number51364-51-3
Complexity272
Covalently-Bonded Unit5
Defined Bond Stereocenter6
EC Number610-654-4
H-Bond Acceptor3
Heavy Atom Count56
InChIInChI=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+;;;
InChIKeyCYPYTURSJDMMMP-WVCUSYJESA-N;
IUPAC Name(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium;
Molecular FormulaC51H42O3Pd2
Rotatable Bond Count12
Topological Polar Surface Area51.2A^2

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