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CAS RN: 95408-45-0 | Product Number: B3160

[1,1'-Bis(di-tert-butylphosphino)ferrocene]palladium(II) Dichloride

Purity: >98.0%(T)
  • Dichloro[1,1'-bis(di-tert-butylphosphino)ferrocene]palladium(II)
  • [1,1'-Bis(di-tert-butylphosphino)ferrocene]dichloropalladium(II)
5   2   1  
6   1   29  

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Product Number B3160
Purity / Analysis Method >98.0%(T)
Molecular Formula / Molecular Weight C__2__6H__4__4Cl__2FeP__2Pd = 651.75 
Physical State (20 deg.C) Solid
Packaging and Container 1G-Glass Bottle with Plastic Insert (View image)
CAS RN 95408-45-0
PubChem Substance ID 87560219
Appearance Orange to Amber to Dark red powder to crystal
Purity(Argentometric Titration) min. 98.0 %
Properties (reference)
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.
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.
Related Laws:
Transport Information:
HS Number 2942.00.5000
TCI Practical Example: Suzuki-Miyaura Cross Coupling Utilizing Aryl Chlorides as a Substrate

Used Chemicals


To a two-necked flask was charged with potassium carbonate (832 mg, 6.02 mmol, 2.01 equiv.), phenylboronic acid (384 mg, 3.15 mmol, 1.05 equiv.), [1,1'-bis(di-tert-butylphosphino)ferrocene]palladium(II) dichloride (20 mg, 0.031 mmol, 1.0 mol%), 4-chloroanisole (0.362 mL, 3.00 mmol, 1.0 equiv.) and degassed DMF (15 mL) under argon atmosphere. The resulting mixture was stirred at 120 °C for 15 h. The reaction mixture was cooled to room temperature and diluted with ethyl acetate (30 mL) and washed with 1 mol/L HCl solution (30 mL). The organic layer was separate and the aqueous layer was extracted with ethyl acetate (15 mL). The combined organic layers were washed with brine (15 mL), dried over Na2SO4 and filtered. The solvent was removed under reduced pressure. The residue was purified by column chromatography (hexane : ethyl acetate, 100 : 0 → 98 : 2) to obtain 1 as a white solid (0.32 g, 58%).

Experimenter's Comments

The reaction mixture was monitored by TLC (hexane, Rf = 0.30).

Analytical Data(Compound 1)

1H NMR (400 MHz, CDCl3); δ 7.53–7.57 (m, 4H), 7.42 (t, J = 7.6 Hz, 2H), 7.31 (t, J = 6.8 Hz, 1H), 6.98 (d, J = 8.4 Hz, 2H).

13C NMR (101 MHz, CDCl3); δ 159.2, 140.9, 133.8, 128.8, 128.2, 126.8, 126.7, 114.2, 55.4.

Lead Reference

Useful Palladium Catalyst


PubMed Literature

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