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713570

1,5-Cyclooctadiene{[dibenzyl((4R,5R)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite κN:κP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

Name: 1,5-Cyclooctadiene{[dibenzyl((4<I>R</I>,5<I>R</I>)-5-methyl-2-phenyl-4,5-dihydro-4-oxazolyl)methyl]dicyclohexylphosphinite κN:κP}iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
Brand: ALDRICH

97%

Synonym(s):

Ubaphox, [((4R,5R)-Cy2-Ubaphox)Ir(COD)]BARF

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About This Item

Empirical Formula (Hill Notation):

C₇₇H₇₀BF₂₄IrNO₂P

CAS Number:

880262-14-6

Molecular Weight:

1731.35

MDL number:

MFCD18252665

UNSPSC Code:

12352005

PubChem Substance ID:

329763204

NACRES:

NA.22

Quality Level

100

Assay

97%

form

powder

optical purity

ee: ≥99%

SMILES string

[Ir+].C1CC=CCCC=C1.C[C@H]2OC(=N[C@H]2C(Cc3ccccc3)(Cc4ccccc4)OP(C5CCCCC5)C6CCCCC6)c7ccccc7.FC(F)(F)c8cc(cc(c8)C(F)(F)F)[B-](c9cc(cc(c9)C(F)(F)F)C(F)(F)F)(c%10cc(cc(c%10)C(F)(F)F)C(F)(F)F)c%11cc(cc(c%11)C(F)(F)F)C(F)(F)F

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;;+1/b;;2-1-,8-7-;/t29-,35-;;;/m1.../s1

InChI key

BGPHLJWQZLLYML-XCHXSORBSA-N

Related Categories

Chiral Catalysts & Ligands

Application

Catalyst for enantioselective hydrogenation of alkenes

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Legal Information

sold in collaboration with Solvias AG

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A New Class of Modular Phosphinite-Oxazoline Ligands: Ir-Catalyzed Enantioselective Hydrogenation of Alkenes We thank Dr. Martin Studer and Dr. Benoît Pugin (Solvias AG, Basel) for fruitful discussions, and Prof. Kevin Burgess (Texas A&M University) for preprints of related unpublished work. Financial support by the Swiss National Science Foundation is gratefully acknowledged.

Jörg Blankenstein et al.

Angewandte Chemie (International ed. in English), 40(23), 4445-4447 (2002-10-31)

Threonine-derived phosphinite-oxazoline ligands for the Ir-catalyzed enantioselective hydrogenation.

Menges, F. and Pfaltz, A.

Advanced Synthesis & Catalysis, 344, 40-44 (2002)