63400-16-8

Basic information

• Product Name: {m-(Me₂(H)NCH₂)2C₆H₄}Cl₂
• Synonyms: {m-(Me₂(H)NCH₂)2C₆H₄}Cl₂
• CAS NO: 63400-16-8
• Molecular Weight: 265.226
• Mol File: 63400-16-8.mol

Chemical Properties

• CAS DataBase Reference: {m-(Me₂(H)NCH₂)2C₆H₄}Cl₂(CAS DataBase Reference)
• NIST Chemistry Reference: {m-(Me₂(H)NCH₂)2C₆H₄}Cl₂(63400-16-8)
• EPA Substance Registry System: {m-(Me₂(H)NCH₂)2C₆H₄}Cl₂(63400-16-8)

Safety Data

• Hazardous Substances Data: 63400-16-8(Hazardous Substances Data)

Upstream product

• 115338-66-4 rhodium{C₆H₃(CH₂NMe₂)2-o,o'}(1,5-cyclooctadiene) 
• 114762-89-9 Ir{C₆H₃(CH₂NMe₂)-2-(CH₂NMe₂)-6}(COD) 
• 2767-47-7 dimethyltin dibromide 
• 82622-01-3 Li₂{C₆H₃(CH₂NMe₂)2-o,o'}2 

Relevant articles and documents

Ortho-chelated arylrhodium(I) complexes. X-ray structure of RhI[C6H3(CH2NMe2) 2-o,o′-C,N ](COD)

The reaction of Lin[C6H3(CH2NMe 2)-o-R-o′]n with [RhCl(diene)]2 yields the ortho-chelated arylrhodium(I) complexes Rh[C6H3(CH2NMe 2)-o-R-o′](diene) (R = CH2NMe2, diene = COD (1a) or NBD (1b); diene = COD, R = Me (2) or H (3)). The solid-state structure of 1a was determined by a single-crystal X-ray diffraction study. C20H31N2Rh: triclinic, space group P1, with lattice parameters a = 10.169 (1) ?, b = 13.036 (1) ?, c = 14.688 (2) ?, α = 79.54 (1)°, β = 77.04 (1)°, γ = 79.53°; V = 1845.6 (4) ?3, Z = 4; D(calcd) = 1.448 g cm-3. Refinement with 4696 observed reflections converged at R = 0.0395. The structure of 1a consists of a rhodium(I) center that has a square-planar coordination comprising the two double bonds of COD and a C atom and one of the N atoms of the monoanionic aryl ligand. In solution compounds 1 and 2 exhibit dynamic behavior which involves a reversible dissociation of the Rh-N bond and rotation of the aryl moiety around Rh-C. This process, which generates a highly unsaturated T-shaped 14 electron species, is accompanied by the relief of steric repulsions within the complex. Complex 1 reacts with a range of electrophilic reagents leading to Rh-C bond breakage (HX, X = acac, Cl, Br, OAc, OH, OMe, L-alanyl; MXnLm, SnMe2Br2, NiBr2(PBu3)2, ZrCl4, PdCl2(NCPh)2, HgCl2, PtBr2(COD), and [IrCl(COD)]2). A redox reaction of 1 with AgX (X = OAc, NO3) leads to the formation of RhIIIX2[C6H3(CH2NMe 2)2-o,o′](H2O).

Trapping of Three-Center Ir-Sn-X Intermediates in the Reaction of IrI(COD) with Organotin(IV) Halides. X-ray Structure of (COD)Ir(Br)SnMe2Br

The reaction of IrI(COD) with various organotin(IV) halides SnRR'X2 yields dinuclear adducts (COD)Ir(X)SnRR'X (X = Cl, R = R'= Me, Ph; X = R = Cl, R'= Me; X = Br, R = R'= Me, Br; X = Br, R = Me, R'= Ph).No reaction was observed with SnMe3Cl.The X-ray structure of (COD)Ir(Br)SnMe2Br was determined.Crystals are triclinic, space group P1, with unit-cell dimensions a=10.122(2) Angstroem , b=14.136(2) Angstroem, c=17.310(2) Angstroem, α=66.83(1) deg, β=69.35(1) deg, γ=73.64(2) deg.The crystal structure was solved with direct methods (Ir, Sn, Br) and subsequent difference Fourier techniques.Anisotropic blocked full-matrix least-squares refinement with 6605 observed reflections and 458 parameters converged at RF=0.0337.The molecule contains an Ir-Sn-Br triangle, which appears to be the result of an Sn-Br bond that is side-on coordinated to Ir.As such it can be envisaged as a unique trapped three-center intermediate in the concerted oxidative addition of a metal-halide bound to a square-planar metal d8 complex.