98170-46-8

Basic information

• Product Name: Ni(CH₂C₆H₄CH₃)(S₂CN(CH(CH₃)2)2)(P(CH₃)3)
• CAS NO: 98170-46-8
• Molecular Weight: 416.255
• Mol File: 98170-46-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Ni(CH₂C₆H₄CH₃)(S₂CN(CH(CH₃)2)2)(P(CH₃)3)(CAS DataBase Reference)
• NIST Chemistry Reference: Ni(CH₂C₆H₄CH₃)(S₂CN(CH(CH₃)2)2)(P(CH₃)3)(98170-46-8)
• EPA Substance Registry System: Ni(CH₂C₆H₄CH₃)(S₂CN(CH(CH₃)2)2)(P(CH₃)3)(98170-46-8)

Safety Data

• Hazardous Substances Data: 98170-46-8(Hazardous Substances Data)

Upstream product

• 29875-05-6 2-methylbenzylmagnesium chloride 
• 552-45-4 1-chloromethyl-2-methylbenzene 
• 98170-37-7 NiCl(CH₂C₆H₄CH₃)(P(CH₃)3) 
• 4092-82-4 sodium N,N'-diisopropyldithiocarbamate 
• 108694-96-8 Ni(CH₂C₆H₄CH₃)2(C₅H₅N)2 
• 108694-97-9 Ni(CH₂C₆H₄CH₃)2((CH₃)2NCH₂CH₂N(CH₃)2) 
• 108694-94-6 Ni(CH₂C₆H₄CH₃)Cl(P(CH₃)3) 

Relevant articles and documents

New nickel o-methylbenzyl complexes. Crystal and molecular structures of Ni(η3-CH2C6H4-o-Me)Cl(PMe 3) and Ni3(η1-CH2C6H 4-o-Me)4(PMe3)2(μ 3-OH)2

The formation and properties of the o-methylbenzyl complexes Ni(η1-CH2C6H4-o-Me)Cl(PMe 3)2 (1), Ni(η3-CH2C6H4-o-Me)Cl(PMe 3) (2), and Ni3(η1-CH2C6H 4-o-Me)4(PMe3)2(μ 3-OH)2 (3) are reported. Alkyl 1 reacts with CO to yield the expected acyl Ni(COR)Cl(PMe3)2 (4) while metathetical replacement of the chloride ligand affords the related complexes NiR(X)(PMe3)2 (X = NCS, 5; X = NC4H2Me2, 6). Interaction of the pseudoallyl 2 with KOH produces the hydroxo-bridged dimer [NiR(PMe3)(μ-OH)]2 (8) which readily forms the solid-state adducts 8·NHC4H2Me2 and 8·2HNC4H2Me2 when crystallized in the presence of 2,5-dimethylpyrrole. The dialkyl complexes Ni(CH2C6H4-o-Me)2L2 (L = py, 12; L2 = tmed, 13) have also been obtained, but attempts to isolate the PMe3 analogue NiR2(PMe3)2 as a crystalline solid led always to the reductive elimination products Ni(PMe3)4 and C16H18. Complexes 2 and 3 have been characterized by X-ray crystallography. 2 is monoclinic, space group P21/n, with cell dimensions a = 7.138 (2) A?, b = 17.151 (2) A?, c = 10.811 (2) A?, β = 98.45 (2)°, V = 1309.11 A?3, and Z = 4. The molecule exhibits a distorted square-planar geometry, with the pseudoallylic o-methylbenzyl ligand unsymmetrically bonded to the nickel center. Crystals of 3 are triclinic, space group P1, with cell dimensions a = 10.428 (3) A?, b = 12.646 (3) A?, c = 16.551 (3) A?, a = 70.68 (2)°, β = 79.54 (1)°, γ = 69.20 (2)°, V = 1920.4 A?3, and Z = 2. The molecule consists of a distorted trigonal-bipyramidal Ni3(OH)2 core in which the Ni(II) ions are four coordinated to the two hydroxo groups and to two o-methylbenzyl groups for one of the Ni(II) ions and to one alkyl group and one PMe3 ligand for the other two Ni(II) ions.