338993-29-6

Basic information

• Product Name: mer-[(bis(2-diphenylphosphinoethyl)phenylphosphine)Ir(C(CO₂CH₃)=C(CO₂CH₃)-C(CO₂CH₃)=C(CO₂CH₃))(=COCH₂CH₂CH₂)]BF₄
• CAS NO: 338993-29-6
• Molecular Weight: 1167.9
• Mol File: 338993-29-6.mol

Chemical Properties

• CAS DataBase Reference: mer-[(bis(2-diphenylphosphinoethyl)phenylphosphine)Ir(C(CO₂CH₃)=C(CO₂CH₃)-C(CO₂CH₃)=C(CO₂CH₃))(=COCH₂CH₂CH₂)]BF₄(CAS DataBase Reference)
• NIST Chemistry Reference: mer-[(bis(2-diphenylphosphinoethyl)phenylphosphine)Ir(C(CO₂CH₃)=C(CO₂CH₃)-C(CO₂CH₃)=C(CO₂CH₃))(=COCH₂CH₂CH₂)]BF₄(338993-29-6)
• EPA Substance Registry System: mer-[(bis(2-diphenylphosphinoethyl)phenylphosphine)Ir(C(CO₂CH₃)=C(CO₂CH₃)-C(CO₂CH₃)=C(CO₂CH₃))(=COCH₂CH₂CH₂)]BF₄(338993-29-6)

Safety Data

• Hazardous Substances Data: 338993-29-6(Hazardous Substances Data)

Upstream product

• 338993-25-2 mer-[(bis(2-diphenylphosphinoethyl)phenylphosphine)Ir(C(CO₂CH₃)=C(CO₂CH₃)-C(CO₂CH₃)=C(CO₂CH₃))(dichloromethane)]BF₄ 
• 927-74-2 3-Butyn-1-ol 

Relevant articles and documents

Synthesis and solid state characterization of a meridional triphos iridium metallacycle-carbene complex: [{PhP(CH2CH2PPh2)2} Ir(CR=CRCR=CR){=C(CH2)3O}][BF4] (R = Co2Me)

The five-coordinate iridium metallacycle [(PPh3)2Ir(CR=CRCR=CR)(Cl)] (5, R = CO2CH3) and trisphosphine [PhP(CH2CH2PPh2)2] are readily converted in refluxing toluene to the fac- and mer-triphos metallacyclopentadiene complexes [{PhP(CH2CH2PPh2)2}-Ir(CR=CRCR=CR)Cl ] (6-fac and 6-mer). Halide abstraction from the facial isomer 6-fac gives the isolable cationic solvate [{PhP(CH2CH2PPh2)2}Ir(CR=CR-CR=CR)(C lCH2Cl)]BF4 (7, R = CO2CH3) which adopts a mergeometry. Reaction of 7 with carbon monoxide generates the mer isomer of [{PhP(CH2CH2PPh2)2}Ir(CR=CRCR=CR)(CO )] BF4 (8, R = CO2CH3); whereas, reaction of 7 with 3-butyn-1-ol gives the mer-carbene complex [{PPh(CH2CH2PPh2)2}Ir(CR=CRCR=CR)(=C OCH2CH2CH2)]BF4 (9, R = CO2CH3). A single-crystal X-ray crystallographic analysis of 9 represents the first solid-state characterization of a meridional [PhP(CH2CH2PPh2)2] iridium complex.