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CAS RN: 676525-77-2 | Product Number: D4887

(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) Hexafluorophosphate

Purity: >85.0%(HPLC)
  • Ir[(ppy)2(dtbbpy)]PF6
  • [4,4-Di-tert-butyl-2,2'-bipyridine-κN1N1']bis[2-(2-pyridinyl-κN)phenyl-κC]iridium(III) Hexafluorophosphate
≥20  10   ≥20 
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Product Number D4887
Purity / Analysis Method >85.0%(HPLC)
Molecular Formula / Molecular Weight C__4__0H__4__0F__6IrN__4P = 913.97  
Physical State (20 deg.C) Solid
Storage Temperature 0-10°C
Condition to Avoid Light Sensitive,Heat Sensitive
CAS RN 676525-77-2
Reaxys Registry Number 17851176
PubChem Substance ID 253661441
Appearance Light yellow to Yellow to Orange powder to crystal
Purity(HPLC) min. 85.0 area%
Properties (reference)
Maximum Absorption Wavelength 380(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.
P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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:
TCI Practical Example: Synthesis of 3-arylpiperazine using visible light with [Ir(ppy)2(dtbbpy)]PF6 catalyst

Used Chemicals


An oven-dried Schlenck tube was charged with N-(2-aminoethyl)-N-benzylglycine bis(trifluoroacetate) (88 mg, 0.20 mmol), and the system was degassed through N2 purging (3 x 5 min). 1 mol/L KOH solution in methanol (0.82 mL, 0.82 mmol) and 4-fluorobenzaldehyde (35 mg, 0.28 mmol) were subsequently added. The reaction mixture was stirred at room temperature for 0.5 h. A solution of [Ir(ppy)2(dtbbpy)]PF6 (1.8 mg, 2.0 x 10-3 mmol) in dry acetonitrile (3.2 mL) was added. The reaction was degassed with N2 bubbling before starting the irradiation and was stirred at room temperature under the exposure of blue LEDs for 3 h. The solution was filtered to remove the trifluoroacetate salt formed. The resulting mixture was concentrated under vacuum and purified with column chromatography (1 : 99 methanol / ethyl acetate on SiO2), giving 1-benzyl-3-(4-fluorophenyl)piperazine as a yellow oil (43 mg, 80%).

Experimenter's Comments

The reaction mixture was monitored by TLC (ethyl acetate, Rf = 0.25) and LCMS.

Analytical Data(1-Benzyl-3-(4-fluorophenyl)piperazine)

1H NMR (400 MHz, CDCl3); δ 7.35–7.20 (m, 7H), 6.99–6.91 (m, 2H), 4.29 (br, 1H) 3.94 (dd, 1H, J = 10.4, 2.8 Hz), 3.55 (s, 2H), 3.06–2.98 (m, 2H), 2.89–2.82 (m, 2H), 2.27 (ddd, 1H, 11.2, 9.2, 4.8 Hz), 2.20 (m, 1H).

13C NMR (101 MHz, CDCl3); δ 163.8, 161.3, 137.4, 135.7, 129.2, 128.4, 127.5, 115.5, 63.0, 59.5, 51.9, 45.5.

Lead Reference

PubMed Literature

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