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

Catalog Number	ACM467220491-1
CAS	467220-49-1
Structure
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
Purity	96%
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
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