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[1-benzyl-1-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl]-2-phenyl-ethoxy]-diphenyl-phosphane;cyclooctane;iridium(1+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide(CAS: 405235-55-4)

[1-benzyl-1-[(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl]-2-phenyl-ethoxy]-diphenyl-phosphane;cyclooctane;iridium(1+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CAS Number

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Basic Information

Molecular Formula
C77H58BF24IrNO2P-
Molecular Weight
1719.27 g/mol

Physical Properties

Melting Point
112-113°C

Chemical Identifiers

SMILES
[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.CC1C(N=C(O1)C2=CC=CC=C2)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)OP(C5=CC=CC=C5)C6=CC=CC=C6.C1C[CH][CH]CC[CH][CH]1.[Ir]
InChIKey
OYQSQQMXRUOJGB-FWAHSXEBSA-N

Database References

MDL Number
MFCD06658140

FAQ

The compound has a crystalline form and a molecular weight of approximately 1200 g/mol. It is soluble in organic solvents such as dichloromethane and toluene. Chemically, it is stable under normal conditions but can react with strong acids and bases. Its reactivity is influenced by the presence of the iridium and borane groups, making it suitable for various catalytic reactions.
The compound is typically synthesized through a multi-step process involving the reaction of diphenylphosphane, cyclooctane, iridium, and tetrakis[3,5-bis(trifluoromethyl)phenyl]boronide. The synthesis involves careful control of conditions to achieve high selectivity and yield, often using catalytic amounts of iridium complexes.
This compound is primarily used in the pharmaceutical and chemical industries for the synthesis of complex organic molecules. It is also used in the development of new materials and sensors due to its unique electronic properties.
When handling this compound, it is essential to use personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated fume hood. In case of spillage, immediately clean up using appropriate materials and consult the Safety Data Sheet (SDS) for further instructions on disposal and cleanup procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

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Tang Silei

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