691097

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%

• Synonym(s): ThrePHOX, Ubaphox, [((4S,5S)-Ph₂-Ubaphox)Ir(COD)]BARF
• Empirical Formula (Hill Notation): C₇₇H₅₈BF₂₄IrNO₂P
• CAS Number: 405235-55-4
• Molecular Weight: 1719.25
• MDL number: MFCD06658140
• UNSPSC Code: 12352101
• PubChem Substance ID: 329761386
• NACRES: NA.22

Properties

• Quality Level: 100
• 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

Description

General description

sold in collaboration with Solvias AG

Application

Catalyst for enantioselective hydrogenation of alkenes[1][2]

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Safety Information

• 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)