1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (1,4-naphthoquinone)palladium(0) dimer

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Catalog Number
ACM467220491-1
Product Name
1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (1,4-naphthoquinone)palladium(0) dimer
Structure
Structure
CAS
467220-49-1
Category
Heterocyclic Organic Compound
Synonyms
[1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium;naphthalene-1,4-dione
IUPAC Name
[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium;naphthalene-1,4-dione;
Molecular Weight
1138
Molecular Formula
C62H60N4O4Pd2
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Pd])C3=C(C=C(C=C3C)C)C)C.C1=CC=C2C(=O)C=CC(=O)C2=C1.C1=CC=C2C(=O)C=CC(=O)C2=C1
InChI
InChI=1S/2C21H24N2.2C10H6O2.2Pd/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h2*7-12H,1-6H3;2*1-6H;
InChI Key
ZTBFODSKEBBIJJ-UHFFFAOYSA-N
Melting Point
>300 °C
Appearance
Powder
Application
Catalyst for Heck reactions in ionic liquids.

Catalyst for the cross-coupling of aryl diazonium salts.

Catalyst for the Kumada cross-coupling of alkyl chlorides.
Complexity
663
Covalently-Bonded Unit Count
4
Exact Mass
1138.26883
H-Bond Acceptor
8
Heavy Atom Count
72
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Monoisotopic Mass
1136.26842
Rotatable Bond Count
4
Topological Polar Surface Area
81.2 Ų
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