734535
(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
95%
Synonym(s):
Crabtree′s catalyst BARF analog
About This Item
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Assay
95%
form
solid
reaction suitability
core: iridium
reagent type: catalyst
mp
168-173 °C
storage temp.
−20°C
SMILES string
C[Ir+]C.c1ccncc1.C2CC=CCCC=C2.C3CCC(CC3)P(C4CCCCC4)C5CCCCC5.FC(F)(F)c6cc(cc(c6)C(F)(F)F)[B-](c7cc(cc(c7)C(F)(F)F)C(F)(F)F)(c8cc(cc(c8)C(F)(F)F)C(F)(F)F)c9cc(cc(c9)C(F)(F)F)C(F)(F)F
InChI
1S/C32H12BF24.C18H33P.C8H12.C5H5N.2CH3.Ir/c34-25(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;1-4-10-16(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;;;/h1-12H;16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;2*1H3;/q-1;;;;;;+1/b;;2-1-,8-7-;;;;
InChI key
OVABWJKBCHJIIP-OHHPTVSFSA-N
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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Related Content
The Crabtree Group developed the [(cod)IrLL']PF6 series of catalysts, where L is a P-donor such as PCy3 and L' and N-donor such as pyridine. These are very active in the hydrogenation of sterically hindered alkenes. The catalyst also shows directing effects as a result of binding of the catalyst to suitable functional groups on the substrate, followed by addition of H2 from the same side of the substrate that the functional group is located. Two versions of the catalyst are available from us one with PF6 and the other with BArF4 counteranion.
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