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CAS RN: 864163-80-4 | Product Number: B4944

(2,2'-Bipyridine)bis[2-(2,4-difluorophenyl)pyridine]iridium(III) Hexafluorophosphate

Purity: >80.0%(HPLC)
  • Ir[(dFppy)2(bpy)]PF6
5   2  

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Product Number B4944
Purity / Analysis Method >80.0%(HPLC)
Molecular Formula / Molecular Weight C__3__2H__2__0F__1__0IrN__4P = 873.71  
Physical State (20 deg.C) Solid
CAS RN 864163-80-4
Reaxys Registry Number 20153920
PubChem Substance ID 354333555
Appearance Light yellow to Brown powder to crystal
Purity(HPLC) min. 80.0 area%
Elemental analysis(Nitrogen) 6.00 to 6.75 %
Properties (reference)
Maximum Absorption Wavelength 500(CH2Cl2) nm
Pictogram Pictogram
Signal Word Warning
Hazard Statements H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
Precautionary Statements P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ eye protection/ face protection.
P302 + P352 : IF ON SKIN: Wash with plenty of water.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P362 + P364 : Take off contaminated clothing and wash it before reuse.
P332 + P313 : If skin irritation occurs: Get medical advice/ attention.
Related Laws:
Transport Information:
HS Number 2843909000
TCI Practical Example: C(sp3)-H arylation catalyzed by photoredox catalyst

Used Chemicals


To a solution of quinuclidine (22.4 mg, 0.201 mmol, 0.20 eq), Ir[(dFppy)2(bpy)]PF6 (18.0 mg, 0.0165 mmol, 1.7 mol%), K2HPO4 (0.358 g, 2.07 mmol, 2.1 eq) in THF (10 mL) was added methyl pentafluorobenzoate (0.146 mL, 1.00 mmol, 1.0 eq) at rt under N2. The mixture was placed at a distance of 2-3 cm from Blue LED lamp. The orange solution was stirred at rt under visible light irradiation. After 4.5 hours of irradiation, the solvent was removed in vacuo. The residue was diluted with dichloromethane and filtered through a silica gel pad. The filtrate was concentrated and purified by column chromatography (hexane : ethyl acetate on silica gel, hexane : ethyl acetate = 9 : 1 → 20 : 3), giving compound 1 as a colorless oil (125 mg, y. 45%).

Experimenter’s Comments

Tetrahydrofuran was degassed with nitrogen for 1 hour before use.
Irradiation of visible light was performed with Kessil A160WE Tuna Blue 40W×2.
The reaction mixture was monitored by 1H NMR, TLC (hexane : ethyl acetate = 10 : 1, Rf = 0.26).
The reaction was performed at rt, however the internal temperature rose up to 40 ˚C due to the insufficient cooling. Neverthelss, the reaction proceeded without any problems.

Analytical Data(Compound 1)

1H NMR (400 MHz, CDCl3); δ 5.27 (t, J = 7.8 Hz, 1H), 4.09 (q, J = 7.3 Hz, 1H), 3.97 (s, 3H), 3.99−3.90 (m, 1H), 2.40−2.31 (m, 1H), 2.24−2.15 (m, 1H), 2.11-2.06 (m, 2H).

13C NMR (101 MHz, CDCl3); δ 160.2, 145.8, 143.4, 124.8, 104.5, 71.7, 69.4, 53.3, 32.4, 27.0.

19F NMR (376.5 MHz, CDCl3); δ −140.34 (d, J = 23 Hz, 2F), −142.95 (d, J = 23 Hz, 2F).

Lead Reference

Other References

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