52522-40-4
Tris(dibenzylideneacetone)dipalladium (0) chloroform adduct
CAS: 52522-40-4
Molecular Formula: C52H31Cl3O3Pd2
52522-40-4 - Names and Identifiers
| Name | Tris(dibenzylideneacetone)dipalladium (0) chloroform adduct |
| Synonyms | TRIS(DIBENZYLIDENEACETONE)(CHLOROFORM)-DI-PALLADIUM(0) Dipalladiumtris(dibenzylideneacetone) chloroform adduct TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM-CHLOROFORM ADDUCT Tris(dibenzylideneacetone)dipalladium-chloroform adduct Tris(Dibenzylideneacetone) Dipalladium Chloroform Adduct TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM CHLOROFORM COMPLEX DI-PALLADIUM-TRIS(DIBENZYLIDENEACETONE)CHLOROFORM COMPLEX DIPALLADIUM(0)TRIS(DIBENZYLIDENEACETONE)-CHLOROFORM ADDUCT Dipalladium(0)tris(dibenzylideneacetone)-chloroform adduct Tris(dibenzylideneacetone)dipalladium(0) chloroform adduct TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) CHLOROFORM ADDUCT Tris(dibenzylideneacetone)dipalladium (0) chloroform adduct |
| CAS | 52522-40-4 |
| EINECS | 610-856-2 |
| InChI | InChI=1/3C17H14O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h3*1-14H;1H;;/b3*13-11+,14-12+;; |
| InChIKey | NLYJPAJWGANOKG-CXKPDERJSA-N |
52522-40-4 - Physico-chemical Properties
| Molecular Formula | C52H31Cl3O3Pd2 |
| Molar Mass | 1023.01 |
| Melting Point | 131-135°C(lit.) |
| Boling Point | 400.7°C at 760 mmHg |
| Flash Point | 176.2°C |
| Water Solubility | Soluble in organic solvents. Insoluble in water. |
| Vapor Presure | 1.25E-06mmHg at 25°C |
| Appearance | purple to black crystalline powder |
| Color | Purple to black |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Air & Moisture Sensitive |
| MDL | MFCD00075479 |
| Use | cyclization catalyst. |
52522-40-4 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R38 - Irritating to the skin R40 - Limited evidence of a carcinogenic effect R48/20/22 - R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | No |
| HS Code | 28439000 |
52522-40-4 - Reference Information
| Uses | α,β-unsaturated ketone noble metal complexes such as tris (dibenzylidene acetone) dipalladium-chloroform adduct (I. e., Pd2dba3.CHCl3) are used as catalysts or as components of catalyst systems in many chemical methods. As a catalyst, used in coupling reactions of Suzuki, Kumada, Negishi, Buchwald, etc. |
| Preparation | Tris (dibenzylideneacetone) dipalladium-chloroform adduct is usually prepared from palladium chloride (II). CN201180009977.4 provides an optional method for preparing tris (dibenzylidene acetone) dipalladium (chloroform). The method is convenient, economical, effective and can be implemented on a large scale. 1) preparation of Li2PdCl4 solution palladium dichloride (200.2g), lithium chloride (108g) and ethanol (5400ml) are added together in nitrogen atmosphere, and the solution is stirred overnight at room temperature. Filter the Li2PdCl4 solution and wash the insoluble with ethanol (50-100ml). 2) preparation of tris (dibenzylidene acetone) dipalladium-chloroform adduct dibenzylidene acetone (414.3g,3.20 molar ratio), ethanol (8360ml), CHCl3(2250ml) and sodium acetate (720.4g) were added together in nitrogen atmosphere, and the solution was stirred. The Li2PdCl4 solution was degassing under nitrogen and added to the dba solution within 30 minutes at a temperature of 50.6-53.2°C. After adding the Li2PdCl4 solution, the reaction conditions were maintained for another hour and the temperature was maintained at 50.9-52.3°C. The reaction mixture is cooled to room temperature and stirring continues during this period. The reaction mixture was filtered, the product was filtered with deionized water (3000ml) and dried in vacuum under nitrogen for 30 minutes. A black-purple solid containing some visible white sodium acetate is obtained. The solids were combined with deionized water (11000ml). The solution was stirred under nitrogen for 15 minutes and filtered. The black-purple solid was filtered with deionized water (1500ml) and ethanol (1500ml). The solids were vacuum-dried under nitrogen for 30 minutes. The solids were combined with ethanol (1800ml) and CHCl3(900ml) and the solution was stirred. The reaction mixture was filtered and washed with ethanol (50ml). The solids are vacuum dried under nitrogen for one hour. The product is placed in a glass tray and vacuum dried at 25-35 degrees C and -15 inches of mercury pressure for 16 hours to constant weight to obtain the title product (97.76%; melting point 125-130 degrees C). |
Last Update：2024-04-10 22:29:15
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