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

• CAS: 467220-49-1
• Catalog Number: ACM467220491-1
• Category: Other Products
• Molecular Weight: 1138
• Molecular Formula: C62H60N4O4Pd2
• 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
• 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