Trans-bis(acetato)bis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium(II)

Catalog Number	ACM172418325-1
CAS	172418-32-5
Structure
Synonyms	Herrmann-beller palladacycle
Molecular Weight	939.7
Molecular Formula	C46H48O4P2Pd2
Canonical SMILES	CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3[CH2-].CC(=O)O.CC(=O)O.[Pd].[Pd]
InChI	InChI=1S/2C21H20P.2C2H4O2.2Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;2*1-2(3)4;/h2*4-15H,1H2,2-3H3;2*1H3,(H,3,4);/q2*-1;
InChI Key	VWGJFGJEXBXEDJ-UHFFFAOYSA-N
Melting Point	230 °C
Purity	99%
Appearance	White like powder
Complexity	409
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	940.11016
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	938.10974
Rotatable Bond Count	6
Topological Polar Surface Area	74.6 Ų
Type	C-X coupling catalyst