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676525-77-2

676525-77-2 Structure

676525-77-2 Structure
IdentificationBack Directory
[Name]

[Ir(dtbbpy)(ppy)2][PF6]
[CAS]

676525-77-2
[Synonyms]

[Ir(dtbbpy)(ppy)
Ir(ppy)2(dtbbpy)PF6
[Ir(dtbbpy)(ppy)2][PF6]
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) Hexafluorophosphate
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) Hexafluorophosphate
(4,4'-Di-t-butyl-2,2'-bipyridine)bis[2-(2-pyridinyl-kN)phenyl-kC]iridium(III) hexafluorophosphate, 99%
[Molecular Formula]

C40H40F6IrN4P
[MDL Number]

MFCD28369259
[MOL File]

676525-77-2.mol
[Molecular Weight]

913.97
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[form ]

crystal
[color ]

yellow
[λmax]

380nm(CH2Cl2)(lit.)
[InChI]

1S/C18H24N2.2C11H8N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-6,8-9H;;
[InChIKey]

VCIVELSSYHAWGC-UHFFFAOYSA-N
[SMILES]

[P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(C1=CC=N2[Ir+3]34(N5=CC=CC=C5C5=CC=CC=[C-]35)(N3=CC=CC=C3C3=CC=CC=[C-]43)N3=CC=C(C(C)(C)C)C=C3C2=C1)(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[TSCA ]

No
[HS Code ]

2843.90.0000
[Storage Class]

11 - Combustible Solids
Questions And AnswerBack Directory
[Reaction]

  1. This Iridium catalyst is used in the synthesis of β-amidovinyl sulfones via visible-light photoredox catalysis.
  2. Numerous uses of this photoredox catalyst are reported
Reactions of 676525-77-2
Hazard InformationBack Directory
[Uses]

[Ir(dtbbpy)(ppy)2]PF6 is an iridium-based photocatalyst which is used to drive various photochemical reactions such as:
  • Coupling of N-arylamines and nitroalkanes via an oxidative aza-Henry reaction.
  • Atom transfer radical addition (ATRA) of haloalkanes to alkenes and alkynes.
  • Conversion of 2-bromoanilides to the corresponding 3,3-disubstituted oxindoles.
  • Aryl-alkyl C?C reductive cross-coupling reactions.

[reaction suitability]

core: iridium
reaction type: Photocatalysis
reagent type: catalyst
[Synthesis]

Dichlorobridged dimer (0.1 mmol) was reacted with the appropriate neutral ligand (0.22 mmol) in ethylene glycol (5.0 mL) at reflux (150°C) for 15 h with continuous stirring. After cooling to room temperature, the mixture was transferred to a dispensing fu
Spectrum DetailBack Directory
[Spectrum Detail]

[Ir(dtbbpy)(ppy)2][PF6](676525-77-2)1HNMR
[Ir(dtbbpy)(ppy)2][PF6](676525-77-2)31PNMR
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