Bis(1,5-cyclooctadiene)iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate - ≥99.95% metals basis , CAS No.666826-16-0

CAS: 666826-16-0 Cat. No.: B294579 Molecular Weight: 1271.8 EC Number: 636-294-8 PubChem CID: 71310531

GRADE & PURITY ≥99.95% metals basis

Synonyms

666826-16-0|Bis(cyclooctadiene)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate|(1Z,5Z)-cycloocta-1,5-diene;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide|MFCD10567389|DTXSID10746220|ZFOUGNAJKPZBPO-AUUWQFPRSA-N|Bis(1,5-cyclooctadiene)i

Storage

Room temperature

Overview

Product class

M-C, Homogeneous Catalysts, Diene/Dienyl Ligands

Reaction type

Hydrogenation, Asymmetric Reactions, CH-Activation, Hydroamination, Asymmetric Hydrogenation

Chemical properties

Chemical formula

C48H36BF24Ir

Empirical formula

[Ir(cod)2]BArF

Molecular weight

1271.80

Metal

Ir

Theoretical metal content

15

Physical state

powder

Color

red brown

Metal purity

99.95

Applications & references

Catalytic asymmetric hydrogenation of functionalized acrylic acid derivatives for the synthesis of pharmaceutically active substances.

Reference: US2005 0070714

Specifications

Synonyms

666826-16-0 | Bis(cyclooctadiene)iridium(I) tetrakis(3, 5-bis(trifluoromethyl)phenyl)borate | (1Z, 5Z)-cycloocta-1, 5-diene;iridium;tetrakis[3, 5-bis(trifluoromethyl)phenyl]boranuide | MFCD10567389 | DTXSID10746220 | ZFOUGNAJKPZBPO-AUUWQFPRSA-N | Bis(1, 5-cyclooctadiene)i

Specifications & Purity

≥99.95% metals basis

Legal Information

Product of Umicore

Storage

Room temperature

Purity

≥99.95% metals basis

Names and Identifiers

• 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.C1CC=CCCC=C1.C1CC=CCCC=C1.[Ir]
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
• InChIKey: ZFOUGNAJKPZBPO-AUUWQFPRSA-N
• INCHI: 1S/C32H12BF24.2C8H12.Ir/c34-25(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;2*1-2-4-6-8-7-5-3-1;/h1-12H;2*1-2,7-8H,3-6H2;/q-1;;;/b;2*2-1-,8-7-
• Isomeric 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.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ir]
• PubChem CID: 71310531
• Molecular Weight: 1271.8