Bis[(2-dimethylamino)phenyl]amine nickel(II) chloride
Product Information
Molecular Formula
C16H20ClN3Ni
Molecular Weight
348.50
Description
Catalyst for:• Alkyl-alkyl Kumada coupling of secondary alkyl halides• Direct alkylation of heterocyclic C-H bonds• Sonogashira coupling of nonactivated alkyl halides• Kumada-Corriu-Tamao coupling of nonactivated alkyl halides with aryl and heteroaryl nucleophilesReactant of pincer NN2 ligand leading to selective carbon-carbon bond formation
Synonyms
Chloro[N2-[2-(dimethylamino-κN)phenyl]-N1,N1-dimethyl-1,2-benzenediaminato-κN1,κN2]-nickel,Nickamine
IUPAC Name
1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diaminenickel(2+)dichloride
SMILES
CN(C)C1=CC=CC=C1NC2=CC=CC=C2N(C)C.[Cl-].[Cl-].[Ni+2]
InChI
InChI=1S/C16H21N3.2ClH.Ni/c1-18(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)19(3)4/h5-12,17H,1-4H32*1H/q+2/p-2
InChI Key
BTHDYGGYBYTZGI-UHFFFAOYSA-L
Flash Point
Not applicable
Purity
≥97% (AT)
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
383.046595 g/mol
Monoisotopic Mass
383.046595 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
239
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
4
Compound Is Canonicalized
Yes
