89340-57-8

Basic information

• Product Name: trans-Ir(PPh₃)2(CO)(3,5-dimethylpyrazolate)
• CAS NO: 89340-57-8
• Molecular Weight: 839.936
• Mol File: 89340-57-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: trans-Ir(PPh₃)2(CO)(3,5-dimethylpyrazolate)(CAS DataBase Reference)
• NIST Chemistry Reference: trans-Ir(PPh₃)2(CO)(3,5-dimethylpyrazolate)(89340-57-8)
• EPA Substance Registry System: trans-Ir(PPh₃)2(CO)(3,5-dimethylpyrazolate)(89340-57-8)

Safety Data

• Hazardous Substances Data: 89340-57-8(Hazardous Substances Data)

Upstream product

• 67-51-6 3,5-dimethyl-1H-pyrazole 
• 15318-31-7 bis(triphenylphosphine)iridium(I) carbonyl chloride 
• 61324-35-4 potassium 3,5-dimethylpyrazolyl 

Downstream Products

• 14427-98-6 bis(triphenylphosphine)(carbonyl)trichloroiridium(III) 
• 107453-15-6 trans-(Ph3P)2Ir(CO){μ-(3,5-dimethyl-pyrazolato-N,N')}-AuBr 
• 107453-14-5 trans-(Ph3P)2Ir(CO){μ-(3,5-dimethyl-pyrazolato-N,N')}-AuCl 
• 91320-12-6 Ir(PPh₃)2(CO)(3,5-dimethylpyrazolate)cis-dihydride 

Relevant articles and documents

A SERIES OF MONOHAPTO PYRAZOLATES OF IRIDIUM(I) AND IRIDIUM(III)

The reaction of trans-IrCl(CO)L2 with pz-* gives trans-Ir(pz-N)(CO)L2, where pzH is 3,5-dimethyl-, 3,5-dimethyl-4-nitro- or 3,5-bis(trifluoromethyl)-pyrazole, and L = PPh3.The nitrogen atom not involved in coordination can be protonated with HBF4 to give the corresponding + cation.The iridium(I) pyrazolates undergo oxidative addition, yielding Ir(H)2(pz-N)(CO)L2 species, while gaseous HCl cleaves the Ir-N bond, affording IrH(Cl)2(CO)L2.The iridium(I) derivatives can be obtained in several solid-state forms, each characterized by a slightly different CO stretching frequency.The presence of a monodentate pyrazolato ligand in trans-Ir(3,5-(CF3)2pz-N)(CO)L2, in the form with ν(CO) at 1975 cm-1, is supported also by an X-ray crystal structure determination.The compound crystallizes in the monoclinic system, space group P21/n, with cell dimensions a = 21.106(6), b = 19.700(5), c = 9.437(2) Angstroem, and β = 94.34(2) deg and Z = 4.