cis-[2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl](2-methylphenyl)nickel(II) chloride
Product Information
Molecular Formula
C51H39ClNiP2
Molecular Weight
807.95
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-((S)-BINAP)Ni(o-tolyl)Cl
IUPAC Name
chloronickel[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanemethylbenzene
SMILES
CC1=CC=CC=[C-]1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ni]
InChI
InChI=1S/C44H32P2.C7H7.ClH.Ni/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-381-7-5-3-2-4-6-7/h1-32H2-5H,1H31H/q-1+1/p-1
InChI Key
BDNFRUZOTUFTCF-UHFFFAOYSA-M
Melting Point
>300 °C
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
7
Exact Mass
806.156895 g/mol
Monoisotopic Mass
806.156895 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
55
Formal Charge
-1
Complexity
942
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
