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Documentos

691097

Sigma-Aldrich

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

97%

Sinónimos:

ThrePHOX, Ubaphox, [((4S,5S)-Ph2-Ubaphox)Ir(COD)]BARF

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About This Item

Fórmula empírica (notación de Hill):
C77H58BF24IrNO2P
Número de CAS:
405235-55-4
Peso molecular:
1719.25
MDL number:
MFCD06658140
UNSPSC Code:
12352101
PubChem Substance ID:
329761386
NACRES:
NA.22

assay

97%

form

lumps

optical purity

ee: ≥99%

storage temp.

2-8°C

SMILES string

[Ir+].[CH]1[CH]CC[CH][CH]CC1.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/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;;+1/b;;2-1-,8-7-;/t29-,35-;;;/m0.../s1

InChI key

RWJSSAILCUYYLD-RDSUWHNOSA-N

General description

sold in collaboration with Solvias AG

Application

Catalyst for enantioselective hydrogenation of alkenes

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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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 Kevin Burgess (Texas A&M University) for preprints of related unpublished work.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)

Contenido relacionado

Pfaltz Group – Professor Product Portal

Andreas Pfaltz has a longstanding interest in the design of chiral ligands for asymmetric catalysis. The semicorrins developed in his group served as the prototype for an important family of nitrogen ligands, the bisoxazolines, which have found widespread use in catalytic asymmetric synthesis.

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