((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, min. 97% (R,R)-[COD]Ir[Ph2PThrePHOX]

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Catalog Number
ACM880262168
Product Name
((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, min. 97% (R,R)-[COD]Ir[Ph2PThrePHOX]
Structure
Structure
CAS
880262-16-8
Category
Iridium series of catalysts
Synonyms
1,5-Cyclooctadiene{[dibenzyl((4R,5R)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite |EN:|EP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate; 1,5-Cyclooctadiene{[dibenzyl((4S,5S)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]diphenylphosphinite |EN:|EP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate; [((4S,5S)-Ph2-Ubaphox)Ir(COD)]BARF; (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; ((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; [((4R,5R)-Ph2-Ubaphox)Ir(COD)]BARF; 1,5-CYCLOOCTADIENE[[DIBENZYL((4R,5R)-5-METHYL-2-PHENYL-4,5-DIHYDRO-4-OXAZOLYL)METHYL]DIPHENYLPHOSPHINITE KN:KP]IRIDIUM(I)TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)BORATE; (R,R)-[COD]Ir[Ph2PThrePHOX], 97%;
IUPAC Name
(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;
Molecular Weight
1719.278g/mol
Molecular Formula
C77H58BF24IrNO2P-;
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(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;
InChI Key
OYQSQQMXRUOJGB-XCHXSORBSA-N;
Application
New class of hydrogenation catalyst which can convert unfunctionalized styrenyl olefins into alkanes with excellent enantioselectivity.
Storage
2-8°C
Complexity
1890
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
2
Exact Mass
1719.354g/mol
Formal Charge
-1
H-Bond Acceptor
28
Heavy Atom Count
107
Monoisotopic Mass
1719.354g/mol
Rotatable Bond Count
14
Topological Polar Surface Area
30.8A^2
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