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| Product Number | B4893 |
Purity / Analysis Method
|
>90.0%(HPLC) |
| Molecular Formula / Molecular Weight | C__3__2H__2__4F__6IrN__4P = 801.75 |
| Physical State (20 deg.C) | Solid |
Storage Temperature
|
Room Temperature (Recommended in a cool and dark place, <15°C) |
| CAS RN | 106294-60-4 |
| Reaxys Registry Number | 16526752 |
| PubChem Substance ID | 253661417 |
| Appearance | Light yellow to Brown powder to crystal |
| Purity(HPLC) | min. 90.0 area% |
| Elemental analysis(Nitrogen) | 6.00 to 8.00 % |
| NMR | confirm to structure |
| Melting Point | 250 °C |
| Maximum Absorption Wavelength | 255 nm (CH__3CN) |
| 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. 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. P302 + P352 : IF ON SKIN: Wash with plenty of soap and water. P332 + P313 : If skin irritation occurs: Get medical advice/ attention. P362 : Take off contaminated clothing and wash before reuse. |
| HS Number | 2843.90.0000 |
N,N-Dimethylaniline (0.18 g, 1.5 mmol, 1.0 eq), TosMIC (0.439g, 2.25 mmol, 1.5 eq), Ir[(ppy)2(bpy)]PF6 (12 mg, 0.015 mmol, 1.0 mol%), ion-exchanged water (0.27 mL, 15 mmol, 10 eq) were dissolved in acetonitrile (10 mL) 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 2 days of irradiation, the solvent was removed in vacuo and the resulting residue was purified by column chromatography on silica gel (hexane:ethyl acetate = 9:1 – 1:1 - 0:1) to give compound 1 as a light blown solid (131 mg, y. 26%).
Acetonitrile 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 and TLC (hexane:ethyl acetate = 1:1, Rf = 0.23).
Compound 1
1H NMR (400 MHz, CDCl3); δ 7.72 (d, J = 8.2 Hz, 2H), 7.34-7.27 (m, 5H), 6.89 (t, J = 6.9 Hz, 1H), 6.67 (d, J = 8.7 Hz, 2H), 4.69 (d, J = 6.9 Hz, 2H), 3.75 (s, 2H), 2.99 (s, 3H), 2.45 (s, 3H).
13C NMR (101 MHz, CDCl3); δ 170.3, 148.9, 145.6, 133.6, 129.9, 129.4, 128.8, 119.2, 113.3, 59.8, 58.5, 40.0, 21.8.
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