872415-80-0

Basic information

• Product Name: (5,10,15,20-tetra-p-tolylporphyrinato)(methyl-d3)iridium(III)
• CAS NO: 872415-80-0
• Molecular Weight: 879.072
• Mol File: 872415-80-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (5,10,15,20-tetra-p-tolylporphyrinato)(methyl-d3)iridium(III)(CAS DataBase Reference)
• NIST Chemistry Reference: (5,10,15,20-tetra-p-tolylporphyrinato)(methyl-d3)iridium(III)(872415-80-0)
• EPA Substance Registry System: (5,10,15,20-tetra-p-tolylporphyrinato)(methyl-d3)iridium(III)(872415-80-0)

Safety Data

• Hazardous Substances Data: 872415-80-0(Hazardous Substances Data)

Upstream product

• 872415-81-1 (5,10,15,20-tetrakis(p-tolyl)porphyrinato)carbonyliridium(III) chloride 
• 2037-26-5 ⁽²⁾H₈-toluene 
• 7789-20-0 water-d2 
• 105139-33-1 (hydrido)(5,10,15,20-tetrakis(p-tolyl)porphyrinato)iridium(III) 
• 811-98-3 d⁽⁴⁾-methanol 
• 17455-13-9 18-crown-6 ether 
• 1215770-04-9 methoxymethylchlorocarbonyl(5,10,15,20-tetrakis(p-tolyl)porphyrinato)iridium(III) 
• 50-00-0 formaldehyd 
• 1215770-26-5 potassium (18-crown-6)(5,10,15,20-tetrakis(p-tolyl)porphyrinato)iridate(I) 

Downstream Products

• 386707-40-0 (5,10,15,20-tetrakis(p-tolyl)porphyrinato)(methyl)iridium(III) 
• 1279723-59-9 [Ir(tetrakis-4-tolyl-porphyrinato)(COMe)] 

Relevant articles and documents

Reactivity studies of iridiuni(III) porphyrins with methanol in alkaline media

Ir(ttp)Cl(CO) (la; ttp = 5,10,15,20-tetrakis(p-tolyl)porphyrinato dianion) was found to cleave the C-O bond of CH3OH at 200 C to give Ir(ttp)CH3 (3a). Addition of KOH promoted the reaction rate and gave a higher yield of Ir(ttp)CH3 in 70% yield in 1 day. Mechanistic studies suggest that, in the absence of KOH, Ir(ttp)Cl(CO) reacts with CH 3OH initially to give Ir(ttp)OCH3, which then undergoes β elimination to produce Ir(ttp)H (4a). Ir(ttp)H further reacts slowly to cleave the C-O bond of CH3OH, likely via cr-bond metathesis, to give Ir(ttp)CH3. In the presence of KOH, Ir(ttp)Cl(CO) initially reacts with KOH more rapidly to give Ir(ttp)OH, which then cleaves the 0-H bond of CH3OH by metathesis to give Ir(ttp)OCH3. Ir(ttp)OCH 3 further isomerizes via /3-hydride elimination/reinsertion to give Ir(Up)CH2OH and concurrently undergoes base-assisted /3-proton elimination to give Ir(ttp)-K+ (5a). Ir(ttp)CH.20H subsequently condenses with CH3OH to form. Ir(Up)CH2OCH3 (2). Finally, Ir(ttp)-K+ cleaves the C-O bond in CH3OH, most probably via nucleophilic substitution, to give Ir(ttp)CH3. Ir(ttp)CH 2OCH3 also serves as the precursor of Ir(ttp)-K+ as it undergoes nucleophilic substitution by KOH to give Ir(ttp)-K+.