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

Base Information

• Chemical Name: (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate
• CAS No.: 38465-86-0
• Molecular Formula: C34H38F6IrP3
• Molecular Weight: 845.79
• Hs Code.: 28439000
• European Community (EC) Number: 623-615-1
• DSSTox Substance ID: DTXSID80420661
• Mol file: 38465-86-0.mol

Synonyms:38465-86-0;(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate;(1Z,5Z)-cycloocta-1,5-diene;iridium;methyl(diphenyl)phosphane;hexafluorophosphate;DTXSID80420661;AMY11753;MFCD00064800;1,5-Cyclooctadienebis(methyldiphenylphosphine)iridium(I) hexafluorophosphate;AKOS016009875;SC10643;(1,5-cyclooctadiene)bis(methyldiphenylphosphine) iridium(i) hexafluorophosphate;(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)-iridium(I) hexafluorophosphate;(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate, 97%;(1,5-cyclooctadiene)bis(methyldiphenylphosphine)iridium(I)hexafluorophosphate;Iridium(1+), [(1,2,5,6-.eta.)-1,5-cyclooctadiene]bis(methyldiphenylphosphine)-, hexafluorophosphate(1-)

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

Chemical Property:

• Melting Point: 224oC (dec.)(lit.)
• PSA: 40.77000
• LogP: 11.55340
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air & Moisture Sensitive
• Water Solubility.: Soluble in acetone. Insoluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 846.17198
• Heavy Atom Count: 44
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

1,5-Cyclooctadienebis(methyldiphenylphosphine)iridium(I) hexafluorophosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.C1CC=CCCC=C1.F[P-](F)(F)(F)(F)F.[Ir]
• Isomeric SMILES: CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.C1/C=C\CC/C=C\C1.F[P-](F)(F)(F)(F)F.[Ir]
• Uses: (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 (γ-(silyloxy)allyl)boronic esters; diallyl ethers to allyl (E)-vinyl ethers and 1-alkenylboronates to corresponding 3-alkoxyallylboronates.