((4R,5R)-(+)-O-[1-Benzyl-1-(5-methyl-2-phenyl-4,5-dihydrooxazol-4-yl)-2-phenylethyl] (dicyclohexylphosphinite)(1,5-COD)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenylborate, min. 97% (R,R)-[COD]Ir[cy2PThrePHOX]

CAS

880262-14-6

Catalog Number

ACM880262146

Category

Iridium series of catalysts

Molecular Weight

1731.374g/mol

Molecular Formula

C77H70BF24IrNO2P-;

MSDS COA Spec Sheet

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Specification

Synonyms

880262-14-6;[((4S,5S)-Cy2-Ubaphox)Ir(COD)]BARF;[((4R,5R)-Cy2-Ubaphox)Ir(COD)]BARF;583844-38-6;MFCD09839141;(R,R)-[COD]Ir[cy2PThrePHOX], 97%,;1,5-Cyclooctadiene{[dibenzyl((4R,5R)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite |EN:|EP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate;1,5-Cyclooctadiene{[dibenzyl((4R,5R)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite kappaN:kappaP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate, 97%;1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite |EN:|EP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate;

IUPAC Name

(1Z,5Z)-cycloocta-1,5-diene;dicyclohexyl-[2-[(4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-1,3-diphenylpropan-2-yl]oxyphosphane;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;

Canonical 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(C5CCCCC5)C6CCCCC6.C1CC=CCCC=C1.[Ir];

InChI

InChI=1S/C37H46NO2P.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;/h2-4,7-12,17-22,29,33-35H,5-6,13-16,23-28H2,1H3;1-12H;1-2,7-8H,3-6H2;/q;-1;;/b;;2-1-,8-7-;/t29-,35-;;;/m1.../s1;

InChI Key

LADOFGASZSKWMF-XCHXSORBSA-N;

Application

New class of hydrogenation catalyst which can convert unfunctionalized styrenyl olefins into alkanes with excellent enantioselectivity.

Complexity

1890

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

1731.448g/mol

Formal Charge