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CAS RN: 53199-31-8 | Product Number: B3161


Purity: >98.0%(T)
10   5   ≥40 
7   Contact Us ≥40 

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Product Number B3161
Purity / Analysis Method >98.0%(T)
Molecular Formula / Molecular Weight C__2__4H__5__4P__2Pd = 511.06 
Physical State (20 deg.C) Solid
Storage Temperature <0°C
Store Under Inert Gas Store under inert gas
Condition to Avoid Air Sensitive,Heat Sensitive
Packaging and Container 1G-Glass Bottle with Plastic Insert (View image),  250MG-Glass Bottle with Plastic Insert (View image)
CAS RN 53199-31-8
Reaxys Registry Number 14300595
PubChem Substance ID 87560386
MDL Number


Appearance White to Yellow to Orange powder to crystal
Purity(Chelometric Titration) min. 98.0 %
Properties (reference)
Related Laws:
Transport Information:
HS Number 2942.00.5000
TCI Practical Example: The Buchwald-Hartwig Cross-coupling Utilizing Pd(PtBu3)2

Used Chemicals


To a 4-necked 200 mL flask was charged with 2-bromonaphthalene (5.20 g, 25.1 mmol, 1.0 equiv.), morpholine (3.27 mL, 37.5 mmol, 1.5 equiv.) and degassed toluene (75 mL). To this solution was added bis(tri-tert-butylphosphine)palladium(0) (256 mg, 0.501 mmol, 2.0 mol%) and potassium tert-butoxide (4.21 g, 37.5 mmol, 1.5 equiv.). The reaction mixture was refluxed for 3 h under argon atmosphere. The reaction mixture was cooled to room temperature and washed with water (50 mL). The organic layer was separated and the aqueous layer was extracted with ethyl acetate (50 mL). The combined organic layers were washed with brine (50 mL), dried over Na2SO4 and filtered. The solvent was removed under reduced pressure. The residue was purified by column chromatography (eluent: hexane/ethyl acetate, 85/15→70/30) to obtain 1 as a white solid (5.17 g, 96.5%).

Experimenter's Comments

The reaction mixture was monitored by TLC (hexane/ethyl acetate = 9/1, Rf = 0.70).

Analytical Data(Compound 1)

1H NMR (400 MHz, CDCl3); δ 7.76–7.69 (m, 3H), 7.42 (t, J = 7.2 Hz, 1H), 7.31 (t, J = 6.8 Hz, 1H), 7.25–7.28 (m, 1H), 7.13 (s, 1H), 3.92 (t, J = 4.8 Hz, 2H), 3.27 (t, J = 4.8 Hz, 2H).

13C NMR (101 MHz, CDCl3); δ 129.0, 127.6, 127.0, 126.5, 123.7, 119.1, 110.3, 67.1, 50.0.

Lead Reference

Controlled Polymerization Catalyst for Catalyst-Transfer Polycondensation (CTCP)


Newman-Kwart Rearrangement of Thiocarbamates

Typical Procedure: An ampoule is charged with the thiocarbamate (0.442 mmol) and anhydrous degassed toluene (4 mL) is added via gastight syringe under nitrogen with stirring. A J. Youngs valve is fitted and the ampoule is placed into an oil bath pre-equilibrated at 100℃. After ca. 5 minutes the valve is removed and Pd(t-Bu3P)2 (2 mol%, 0.00884 mmol) is added as a solid, the valve is then replaced and the reaction mixture heated for 2.5 hours. A sample of the reaction mixture is removed via gastight syringe and found to contain the desired product (>99%).


PubMed Literature

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