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

Base Information

• Chemical Name: 1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (1,4-naphthoquinone)palladium(0) dimer
• CAS No.: 467220-49-1
• Molecular Formula: C58H54N4O4Pd2
• Molecular Weight: 1083.91
• Hs Code.: 28439000
• European Community (EC) Number: 623-809-6
• DSSTox Substance ID: DTXSID00473396
• Mol file: 467220-49-1.mol

Synonyms:467220-49-1;1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (1,4-naphthoquinone)palladium(0) dimer;1,3-BIS(2,4,6-TRIMETHYLPHENYL)IMIDAZOL-2-YLIDENE(1,4-NAPHTHOQUINONE)PALLADIUM (0) DIMER;[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium;naphthalene-1,4-dione;MFCD08705778;DTXSID00473396;1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene(1,4-naphthoquinone)palladium(0) dimer;Naphthoquinone-1,3-bis(2,4,6-trimethylphenyl)-imidazole-2-ylidenepalladium(0), CX 12;E81023

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

Chemical Property:

• Melting Point: >300 °C
• PSA: 88.00000
• LogP: 13.64300
• Sensitive.: air sensitive
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 1138.26883
• Heavy Atom Count: 72
• Complexity: 663

Purity/Quality:

98%min ^*data from raw suppliers

1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene(1,4-naphthoquinone)palladium(0) dimer, 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• 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
• Uses: It can be used as a catalyst in the Kumada cross-coupling of aryl magnesium reagents with functionalized alkyl chlorides at room temperature to form substituted alkanes.