1231760-69-2

Basic information

• Product Name: ((IrCl((CH₃)5C₅))N(C₆H₄(OCH₃))CH)2(C₆H₂)
• Synonyms: ((IrCl((CH₃)5C₅))N(C₆H₄(OCH₃))CH)2(C₆H₂)
• CAS NO: 1231760-69-2
• Molecular Weight: 1068.2
• Mol File: 1231760-69-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: ((IrCl((CH₃)5C₅))N(C₆H₄(OCH₃))CH)2(C₆H₂)(CAS DataBase Reference)
• NIST Chemistry Reference: ((IrCl((CH₃)5C₅))N(C₆H₄(OCH₃))CH)2(C₆H₂)(1231760-69-2)
• EPA Substance Registry System: ((IrCl((CH₃)5C₅))N(C₆H₄(OCH₃))CH)2(C₆H₂)(1231760-69-2)

Safety Data

• Hazardous Substances Data: 1231760-69-2(Hazardous Substances Data)

Upstream product

• 12354-84-6 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 
• 3525-51-7 N,N'-(1,4-phenylenebis(methan-1-yl-1-ylidene))bis(4-methoxyaniline) 

Relevant articles and documents

Bis-imine-cyclometalated macrocycles: Synthesis, characterization and observation of solution behaviour

A novel class of cyclometalated macrocycles [(Cp*Ir) 2(R-NC-C6H2-CN-R)2] 2(pyrazine)2·(OTf)4 [R = Ph (4a), p-MeOC6H4 (4b), p-MeC6H4 (4c), p-ClC6H4 (4d), Me (4e)]; [(Cp*Rh) 2(R-NC-C6H2-CN-R)2] 2(pyrazine)2·(OTf)4 [R = Ph (4a′), p-MeOC6H4 (4b′), p-MeC6H4 (4c′)] and [(Cp*Ir)2(R-CN-C6H 4-NC-R)2]2(pyrazine)2·(OTf) 4 [R = Ph (5a), p-MeOC6H4 (5b)] was stepwise constructed through the double-site C-H activation of aromatic bis-imine substrates. The structures of binuclear complexes and tetranuclear macrocycles were confirmed by single-crystal X-ray diffraction. Isomers were found both in binuclear species and macrocyclic complexes. Flexible substrates led to the existence of isomers for binuclear species, yet gave no isomers after macrocyclic constructions; rigid ones, in contrast, led to isomers only for macrocyclic species. The isomers of tetranuclear macrocycles were thermodynamically stable to reversible transformation on a scale of days. Robust bonding and a certain degree of rigidity were invoked to explain the existence of isomers. This is the first example, to our knowledge, in which coordinated macrocycles containing half-sandwich Cp*M (M = Ir, Rh) fragments have been constructed, without a dynamic reversible process.