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29590

Sigma-Aldrich

(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-iridium(I) hexafluorophosphate

≥99.0% (C)

Synonym(s):

[Ir(cod)(PCy3)(py)]PF6, (1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)-Ir(I) PF6, Crabtree’s catalyst, Iridium(I) hexafluorophosphate (1,5-Cyclooctadiene)-(pyridine)-(tricyclohexylphosphine) complex, [Ir(cod)(PCy3)(py)]PF6

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About This Item

Empirical Formula (Hill Notation):
C31H50F6IrNP2
CAS Number:
64536-78-3
Molecular Weight:
804.89
MDL number:
MFCD00075097
UNSPSC Code:
12161600
PubChem Substance ID:
57648382
NACRES:
NA.22

Assay

≥99.0% (C)

reaction suitability

core: iridium
reagent type: catalyst

mp

175 °C (dec.) (lit.)

SMILES string

[Ir+].c1ccncc1.F[P-](F)(F)(F)(F)F.C2CC=CCCC=C2.C3CCC(CC3)P(C4CCCCC4)C5CCCCC5

InChI

1S/C18H33P.C8H12.C5H5N.F6P.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;+1/b;2-1-,8-7-;;;

InChI key

UJXHUUQZACSUOG-KJWGIZLLSA-N

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Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Catalyst for the homogeneous hydrogenation of olefins

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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J.M. Brown
Angewandte Chemie (International Edition in English), 99, 169-169 (1987)
R.H. Crabtree et al.
Journal of the American Chemical Society, 104, 6994-6994 (1982)
Barry M Trost et al.
Journal of the American Chemical Society, 127(13), 4763-4776 (2005-03-31)
A wide variety of diynols containing tertiary, secondary, and primary propargylic alcohols undergo a cycloisomerization reaction to form dienones and dienals in the presence of a catalytic amount of [CpRu(CH(3)CN)(3)]PF(6). The formation of five- and six-membered rings is possible using
Krel, M.; Lallemand, J.-Y.; Guillou, C.
Synlett, 2043-2043 (2005)
Stereoselective synthesis of Boc-protected cis and trans-4-trifluoromethylprolines by asymmetric hydrogenation reactions.
Juan R Del Valle et al.
Angewandte Chemie (International ed. in English), 41(9), 1600-1602 (2002-05-03)
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