(dppf)Ni(o-tolyl)Cl
Product Information
Molecular Formula
C41H35ClFeNiP2
Molecular Weight
739.66
Description
(dppf)Ni(o-tolyl)Cl, a biomedicine compound of note, functions prominently as a catalyst in cross-coupling reactions. This notable compound tends to facilitate the production of drugs, mainly focusing on the targeted research of neoplastic diseases and infectious diseases.
Synonyms
Buchwald Ni Catalyst
IUPAC Name
chloronickelcyclopentyl(diphenyl)phosphaneironmethylbenzene
SMILES
CC1=CC=CC=[C-]1.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni].[Fe]
InChI
InChI=1S/2C17H19P.C7H7.ClH.Fe.Ni/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-161-7-5-3-2-4-6-7/h2*1-6,9-12,17H,7-8,13-14H22-5H,1H31H/q-1+1/p-1
InChI Key
ILHGHGMNIAAELD-UHFFFAOYSA-M
Melting Point
173 °C
Purity
95%
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
6
Exact Mass
748.138780 g/mol
Monoisotopic Mass
748.138780 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
46
Formal Charge
-1
Complexity
359
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
