cis-[1,2-Bis(diphenylphosphino)ethane](2-methylphenyl)nickel(II) chloride
Product Information
Molecular Formula
C33H31ClNiP2
Molecular Weight
583.69
Description
The following Ni-complex is an air-stable precatalyst for various Ni-catalyzed reactions which normally require Ni(cod)2, however, this precatalyst will not require any glovebox or schlenk techniques that must be followed with Ni(cod)2. Rates are enhanced and selectivity is maintained when compared to the same reaction with Ni(cod)2.
Synonyms
cis-(dppe)Ni(o-tolyl)Cl
IUPAC Name
chloronickel2-diphenylphosphanylethyl(diphenyl)phosphanemethylbenzene
SMILES
CC1=CC=CC=[C-]1.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ni]
InChI
InChI=1S/C26H24P2.C7H7.ClH.Ni/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-261-7-5-3-2-4-6-7/h1-20H,21-22H22-5H,1H31H/q-1+1/p-1
InChI Key
ZBMZNYPZANJCQG-UHFFFAOYSA-M
Melting Point
>300 °C
Flash Point
Not applicable
Purity
≥95%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
7
Exact Mass
582.094294 g/mol
Monoisotopic Mass
582.094294 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
37
Formal Charge
-1
Complexity
481
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
3
Compound Is Canonicalized
Yes
