[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

Basic Information

View in Editor

CAS Number

880262-16-8

Molecular Formula

C77H58BF24IrNO2P-

Molecular Weight

1719.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

112-113°C

Specific Rotation

+21° (c 0.1, CHCl3)

SMILES

View in Editor

[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]

InChI

InChI=1S/C37H34NO2P.C32H12BF24.C8H12.Ir/c1-29-35(38-36(39-29)32-21-11-4-12-22-32)37(27-30-17-7-2-8-18-30,28-31-19-9-3-10-20-31)40-41(33-23-13-5-14-24-33)34-25-15-6-16-26-34;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-2-4-6-8-7-5-3-1;/h2-26,29,35H,27-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;/b;;2-1-,8-7-;/t29-,35-;;;/m1.../s1

InChIKey

OYQSQQMXRUOJGB-XCHXSORBSA-N

LogP

20.71320

Complexity

1890

Safety Information

View Safety Information

Sensitiveness

air sensitive, store cold

Synonyms & References

English

(1Z,5Z)-cycloocta-1,5-diene;iridium;[2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxy-diphenylphosphane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
880262-16-8
(R,R)-[COD]Ir[Ph2PThrePHOX], 97%
MFCD18253385
OYQSQQMXRUOJGB-XCHXSORBSA-N
1,5-Cyclooctadiene{[dibenzyl((4R,5R)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite kappaN:kappaP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, 97%
1,5-Cyclooctadiene{[dibenzyl((4R,5R)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite N:P}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
((4R,5R)-(+)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl] (diphenylphosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenylborate
1,5-Cyclooctadiene{[dibenzyl((4R,5R)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite κN:κP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
((4R,5R)-(+)-O-[1-BENZYL-1-(5-METHYL-2-PHENYL-4,5-DIHYDROOXAZOL-4-YL)-2-PHENYLETHYL] (DIPHENYLPHOSPHINITE)(1,5-COD)IRID...
((4R,5R)-(+)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl] (diphenylphosphinite)(1,5-COD)iridium(I) te
((4R,5R)-(+)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl](diphenylp...
((4R,5R)-(+)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl](diphenylphosphinite)(1,5-COD)iridium(I)t
Ubaphox
[((4R,5R)-Ph2-Ubaphox)Ir(COD)]BARF
SC10651

MDL Number

MFCD18253385

FAQ

What are the physical and chemical properties of (1Z,5Z)-cycloocta-1,5-diene (CAS: 880262-16-8)?

(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.

How is (1Z,5Z)-cycloocta-1,5-diene (CAS: 880262-16-8) typically synthesized?

(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.

What industries use (1Z,5Z)-cycloocta-1,5-diene (CAS: 880262-16-8)?

(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.

What precautions should be taken when handling (1Z,5Z)-cycloocta-1,5-diene (CAS: 880262-16-8)?

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.