trans-Bis(dicyclohexylamine)palladium(II) acetate
Product Information
Molecular Formula
C28H52N2O4Pd
Molecular Weight
587.14
Description
Catalyst for:• Coupling of aryl iodides with triarylbismuths• Synthesis of 3,6-diphenyl-9-hexyl-9H-carazole derivatives• Suzuki coupling of dihexylfluorene derivatives• Suzuki-Miyaura coupling of dibromopyrone with boronic acids
Synonyms
DAPCy
IUPAC Name
acetic aciddicyclohexylazanidepalladium(2+)
SMILES
CC(=O)O.CC(=O)O.C1CCC(CC1)[N-]C2CCCCC2.C1CCC(CC1)[N-]C2CCCCC2.[Pd+2]
InChI
InChI=1S/2C12H22N.2C2H4O2.Pd/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-122*1-2(3)4/h2*11-12H,1-10H22*1H3,(H,3,4)/q2*-1+2
InChI Key
LAYDWGNLLRXNPH-UHFFFAOYSA-N
Melting Point
150-154 °C
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
586.29619 g/mol
Monoisotopic Mass
586.29619 g/mol
Topological Polar Surface Area
76.6Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
433
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
5
Compound Is Canonicalized
Yes
