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[Ir(dtbbpy)(ppy)2]PF6

Catalog Number
ACM676525772-1
Product Name
[Ir(dtbbpy)(ppy)2]PF6
Structure
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CAS
676525-77-2
  • Product Overview
  • Usage
IUPAC Name
4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;iridium(3+);2-phenylpyridine;hexafluorophosphate
Molecular Weight
914g/mol
Molecular Formula
C40H40F6IrN4P
Canonical SMILES
CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C([C-]=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.[Ir+3]
InChI
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;;/q;3*-1;+3
InChI Key
VCIVELSSYHAWGC-UHFFFAOYSA-N
Storage
2-8°C
Complexity
577
Covalently-Bonded Unit Count
5
Exact Mass
914.2524g/mol
Formal Charge
0
H-Bond Acceptor
13
H-Bond Donor
0
Heavy Atom Count
52
Monoisotopic Mass
914.2524g/mol
Rotatable Bond Count
5
Application
[Ir(dtbbpy)(ppy)2]PF6 serves as an iridium-based photocatalyst designed to facilitate a range of photochemical reactions. Its applications include the coupling of N-arylamines and nitroalkanes through an oxidative aza-Henry reaction, the atom transfer radical addition (ATRA) of haloalkanes to alkenes and alkynes, the transformation of 2-bromoanilides into 3,3-disubstituted oxindoles, and aryl-alkyl C?C reductive cross-coupling reactions. Additionally, this catalyst is employed in the synthesis of β-amidovinyl sulfones via visible-light photoredox catalysis. The versatility and efficiency of this photocatalyst make it invaluable for various synthetic processes.
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