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  • Tris(dibenzylideneacetone)dipalladium(0)

  • Tris(dibenzylideneacetone)dipalladium(0)

    Catalog Number
    ACM51364513-2
    CAS Number
    51364-51-3
    Product Name
    Tris(dibenzylideneacetone)dipalladium(0)
    Structure
    Category
    Salt
    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
    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
    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
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