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[1-benzyl-1-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl]-2-phenyl-ethoxy]-diphenyl-phosphane;(1Z,5Z)-cycloocta-1,5-diene;iridium(1+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide(CAS: 880262-16-8)

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

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Basic Information

Molecular Formula
C77H58BF24IrNO2P-
Molecular Weight
1719.3 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.C1CC=CCCC=C1.[Ir]
InChIKey
OYQSQQMXRUOJGB-XCHXSORBSA-N

Database References

MDL Number
MFCD18253385

FAQ

(1Z,5Z)-cycloocta-1,5-diene is a colorless liquid with a molecular weight of approximately 138.19 g/mol. It has a low solubility in water but is soluble in common organic solvents. This compound is relatively stable under normal conditions but may undergo polymerization upon prolonged exposure to heat or light. It is not highly reactive but can participate in condensation reactions under certain conditions.
(1Z,5Z)-cycloocta-1,5-diene can be synthesized through the Wittig reaction, where a phosphonium ylide reacts with an aldehyde or ketone. Commonly, the reaction involves (3Z)-3-methyl-3-butenyltriphenylphosphonium bromide and phenylacetaldehyde. The yield is typically around 70-80%, and the reaction is performed under anhydrous conditions to avoid side reactions.
(1Z,5Z)-cycloocta-1,5-diene is primarily used in the organic synthesis industry for the preparation of various functionalized cyclooctadienes. These derivatives find applications in the pharmaceutical industry for the synthesis of complex molecules, as well as in the polymer industry for developing new materials with specific properties. Additionally, it is used in sensor technology for detecting specific chemical compounds.
When handling (1Z,5Z)-cycloocta-1,5-diene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to avoid inhalation of the vapor. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

Safety Notice

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

Always follow proper handling procedures

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