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(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate

  • CAS No. 38465-86-0

  • Cat. No. CS-0085897
  • Purity≥97%
  • MDL No.MFCD00064800

*For research and further manufacturing use only, not for direct human use.

(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate|CS-0085897

Structure of 38465-86-0

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General Information

  • CAS No. 38465-86-0
  • Cat. No. CS-0085897
  • Purity ≥97%
  • MDL No. MFCD00064800
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₄H₃₈IrP₂.PF₆
  • Molecular Weight 845.79
  • Synonym(s) None
  • SMILES C[Ir+](C)([P](C1=CC=CC=C1)(C)C2=CC=CC=C2)[P](C3=CC=CC=C3)(C)C4=CC=CC=C4.F[P-](F)(F)(F)(F)F.C5=C\CC/C=C\CC/5

Description

(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate is an air-stable cationic iridium complex, generally employed in allyl isomerization reactions. Upon bubbling hydrogen into the solution of [Ir(cod)(PPh2Me)2]PF6, preferably in tetrahydrofuran, results in the formation of active catalyst [IrH2(solv)2(PPh2Me)2]PF6 which can be used in the isomerization of 3-(silyloxy)-1-propenylboronates to (-(silyloxy)allyl)boronic esters; diallyl ethers to allyl (E)-vinyl ethers and 1-alkenylboronates to corresponding 3-alkoxyallylboronates.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   11.0155
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   6

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