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64536-78-3

64536-78-3 Structure

64536-78-3 Structure
IdentificationBack Directory
[Name]

(1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I) HEXAFLUOROPHOSPHATE
[CAS]

64536-78-3
[Synonyms]

CRABTREE CATALYST
CRABTREE'S CATALYST
[Ir(cod)(PCy3)(py)]PF6
CRABTREE PRECURSOR COMPLEX
tricyclohexylphosphinecyclooctadienepyridineiridium PF6
(1,5-cyclooctadiene)(pyrid.)(tric.hexyl-phosphine)irid(I)pf6
1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridiuM(I)
(TRICYCLOHEXYLPHOSPHINE)(1,5-CYCLOOCTA- DIENE)(PYRIDINE)IRIDIUM(I) PF6
(1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I) PF6, 85%
1,5-Cyclooctadiene-(pyridyl)-(tricyclohexylphosphine)-iridium hexafluoropho
(1,5-Cyclooctadiene)pyridine(tricyclohexylphosphine)iridium hexafluorophosphate
(Tricyclohexyphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate
(1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I) HEXAFLUOROPHOSPHATE
(TRICYCLOHEXYLPHOSPHINE)(1,5-CYCLOOCTADIENE)(PYRIDINE)IRIDIUM (I) HEXAFLUOROPHOSPHATE
Hexafluorophosphate (tricyclohexyl phosphine) (1,5-cyclooctadiene) (pyridine) iridium
(Tricyclohexylphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate,98%
(Tricyclohexylphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate,99%

(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) Hexafluoro phosphate
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-iridiuM(I) hexafluorophosphate 85%
IRIDIUM(I) HEXAFLUOROPHOSPHATE (1,5-CYCLOOCTADIENE)-(PYRIDINE)-(TRICYCLOHEXYLPHOSPHINE) COMPLEX
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-iridiuM(I) hexafluorophosphate >=99.0% (C)
Crabtrees Catalyst~(Tricyclohexyphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate
(Tricyclohexylphosphine)(1,5-cyclooctadiene)(pyridine)iridiuM(I)hexafluorophosphate,CRABTREE'S CATALYST
(cycloocta-1,5-diene)pyridyl(tricyclohexyl-phosphine)iridium(I)hexafluorophosphate Crabtree's catalyst
(Tricyclohexylphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I)hexafluorophosphate,99%CRABTREE'SCATALYST
(Tricyclohexylphosphine)(1,5-cyclooctadiene)(pyridine)iridiuM(I) hexafluorophosphate,98% CRABTREE'S CATALYST
Crabtrees catalyst, (1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-Ir(I) PF6, Iridium(I) hexafluorophosphate (1,5-Cyclooctadiene)-(pyridine)-(tricyclohexylphosphine) complex
[Molecular Formula]

C31H50F6IrNP2
[MDL Number]

MFCD00075097
[MOL File]

64536-78-3.mol
[Molecular Weight]

804.89
Chemical PropertiesBack Directory
[Appearance]

orange crystals
[Melting point ]

175 °C (dec.)(lit.)
[density ]

1.67 g/cm3
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly)
[form ]

Crystalline Powder
[color ]

Orange
[Water Solubility ]

Slightly soluble in acetone, dichloromethane, ethanol and diethyl ether. Insoluble in water.
[Sensitive ]

Moisture Sensitive
[Merck ]

13,2594
[InChIKey]

FGUUESBBRSXAAN-UHFFFAOYSA-O
[SMILES]

[P+5]([F-])([F-])([F-])([F-])([F-])[F-].P(C1CCCCC1)(C1CCCCC1)(C1CCCCC1)[Ir+]123(N4=CC=CC=C4)C4CCC1=C2CCC3=4
Hazard InformationBack Directory
[Chemical Properties]

orange crystals
[Uses]

1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate is used as a catalyst for hydrogenation of mono-, di-, tri-, and tetra-substituted substrates and the isomerization and hydroboration of alkenes. It is also used in isotope exchange reactions, especially the direct exchange of a hydrogen atom with its isotopes deuterium and tritium. Carbonyl groups are also known to direct the hydrogenation by the Crabtree catalyst is highly regioselective.
[reaction suitability]

core: iridium
reagent type: catalyst
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

10-21
[TSCA ]

No
[HS Code ]

29310099
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Questions And AnswerBack Directory
[Reaction]

  1. Iridium catalyst used for the highly enantioselective hydrogenation of α,β-unsaturated esters.
  2. Iridium catalyst used for the stereoselective catalytic hydrogenation and conjugate reduction of 4methylitaconate derivatives bearing a chiral auxiliary.
  3. Iridium catalyst used in the synthesis of thiophene-based TAK-779 analogues via C-H arylation.
  4. Iridium catalyst used in the practical synthetic approach to chiral (α-chloroalkyl)boronic esters via an iridiumcatalyzed, chemoselective hydrogenation of chloro-substituted alkenyl boronates.
  5. Iridium catalyst used in the regioselective C-H activation and hydrogen-isotope exchange of non-aromatic unsaturated functionality.
Reactions of 64536-78-3_1
Reactions of 64536-78-3_2
Reactions of 64536-78-3_3
Spectrum DetailBack Directory
[Spectrum Detail]

(1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I) HEXAFLUOROPHOSPHATE(64536-78-3)1HNMR
(1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(I) HEXAFLUOROPHOSPHATE(64536-78-3)31PNMR
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